N-[5-cyano-4-(2-cyclopentyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-[2-(cyclopropylmethoxy)ethylamino]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-cyclopropyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methoxyethylsulfanyl)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;[6-[[7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl]amino]-4-(2-methoxyethylamino)-3-pyridinyl] thiocyanate

C156H178N42O29S2 — CID 157351194

IUPACN-[5-cyano-4-(2-cyclopentyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-[2-(cyclopropylmethoxy)ethylamino]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-cyclopropyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methoxyethylsulfanyl)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;[6-[[7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl]amino]-4-(2-methoxyethylamino)-3-pyridinyl] thiocyanate
SMILESCOCCNc1cc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc32)ncc1SC#N.COCCSc1cc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc32)ncc1C#N.N#Cc1cnc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc32)cc1NCCN1CCCC1.N#Cc1cnc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc32)cc1NCCOC1CC1.N#Cc1cnc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc32)cc1NCCOC1CCCC1.N#Cc1cnc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc32)cc1NCCOCC1CC1
InChIInChI=1S/C28H33N7O5.C27H32N8O4.C27H31N7O5.C26H29N7O5.C24H27N7O5S.C24H26N6O5S/c29-14-21-15-31-25(13-23(21)30-7-10-40-22-5-1-2-6-22)33-28(38)35-8-3-4-19-12-20(24(17-36)32-27(19)35)16-34-9-11-39-18-26(34)37;28-14-21-15-30-24(13-22(21)29-5-9-33-6-1-2-7-33)32-27(38)35-8-3-4-19-12-20(23(17-36)31-26(19)35)16-34-10-11-39-18-25(34)37;28-12-21-13-30-24(11-22(21)29-5-8-38-16-18-3-4-18)32-27(37)34-6-1-2-19-10-20(23(15-35)31-26(19)34)14-33-7-9-39-17-25(33)36;27-12-19-13-29-23(11-21(19)28-5-8-38-20-3-4-20)31-26(36)33-6-1-2-17-10-18(22(15-34)30-25(17)33)14-32-7-9-37-16-24(32)35;1-35-7-4-26-18-10-21(27-11-20(18)37-15-25)29-24(34)31-5-2-3-16-9-17(19(13-32)28-23(16)31)12-30-6-8-36-14-22(30)33;1-34-7-8-36-20-10-21(26-12-18(20)11-25)28-24(33)30-4-2-3-16-9-17(19(14-31)27-23(16)30)13-29-5-6-35-15-22(29)32/h12-13,15,17,22H,1-11,16,18H2,(H2,30,31,33,38);12-13,15,17H,1-11,16,18H2,(H2,29,30,32,38);10-11,13,15,18H,1-9,14,16-17H2,(H2,29,30,32,37);10-11,13,15,20H,1-9,14,16H2,(H2,28,29,31,36);9-11,13H,2-8,12,14H2,1H3,(H2,26,27,29,34);9-10,12,14H,2-8,13,15H2,1H3,(H,26,28,33)
InChIKeyBHNYPVMYZAXZEM-UHFFFAOYSA-N
MW3169.54 g/mol
LogP13.83
Rot. Bonds53

About N-[5-cyano-4-(2-cyclopentyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-[2-(cyclopropylmethoxy)ethylamino]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-cyclopropyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methoxyethylsulfanyl)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;[6-[[7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl]amino]-4-(2-methoxyethylamino)-3-pyridinyl] thiocyanate

N-[5-cyano-4-(2-cyclopentyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-[2-(cyclopropylmethoxy)ethylamino]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-cyclopropyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methoxyethylsulfanyl)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;[6-[[7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl]amino]-4-(2-methoxyethylamino)-3-pyridinyl] thiocyanate (PubChem CID 157351194) has the molecular formula C156H178N42O29S2 and a molecular weight of 3169.54 g/mol. Its IUPAC name is N-[5-cyano-4-(2-cyclopentyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-[2-(cyclopropylmethoxy)ethylamino]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-cyclopropyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methoxyethylsulfanyl)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;[6-[[7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl]amino]-4-(2-methoxyethylamino)-3-pyridinyl] thiocyanate.

Molecular Properties

Compound NameN-[5-cyano-4-(2-cyclopentyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-[2-(cyclopropylmethoxy)ethylamino]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-cyclopropyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methoxyethylsulfanyl)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;[6-[[7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl]amino]-4-(2-methoxyethylamino)-3-pyridinyl] thiocyanate
PubChem CID157351194
Molecular FormulaC156H178N42O29S2
Molecular Weight3169.54 g/mol
Exact Mass3167.32
IUPAC NameN-[5-cyano-4-(2-cyclopentyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-[2-(cyclopropylmethoxy)ethylamino]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-cyclopropyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methoxyethylsulfanyl)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;[6-[[7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl]amino]-4-(2-methoxyethylamino)-3-pyridinyl] thiocyanate
SMILESCOCCNc1cc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc32)ncc1SC#N.COCCSc1cc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc32)ncc1C#N.N#Cc1cnc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc32)cc1NCCN1CCCC1.N#Cc1cnc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc32)cc1NCCOC1CC1.N#Cc1cnc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc32)cc1NCCOC1CCCC1.N#Cc1cnc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc32)cc1NCCOCC1CC1
InChIInChI=1S/C28H33N7O5.C27H32N8O4.C27H31N7O5.C26H29N7O5.C24H27N7O5S.C24H26N6O5S/c29-14-21-15-31-25(13-23(21)30-7-10-40-22-5-1-2-6-22)33-28(38)35-8-3-4-19-12-20(24(17-36)32-27(19)35)16-34-9-11-39-18-26(34)37;28-14-21-15-30-24(13-22(21)29-5-9-33-6-1-2-7-33)32-27(38)35-8-3-4-19-12-20(23(17-36)31-26(19)35)16-34-10-11-39-18-25(34)37;28-12-21-13-30-24(11-22(21)29-5-8-38-16-18-3-4-18)32-27(37)34-6-1-2-19-10-20(23(15-35)31-26(19)34)14-33-7-9-39-17-25(33)36;27-12-19-13-29-23(11-21(19)28-5-8-38-20-3-4-20)31-26(36)33-6-1-2-17-10-18(22(15-34)30-25(17)33)14-32-7-9-37-16-24(32)35;1-35-7-4-26-18-10-21(27-11-20(18)37-15-25)29-24(34)31-5-2-3-16-9-17(19(13-32)28-23(16)31)12-30-6-8-36-14-22(30)33;1-34-7-8-36-20-10-21(26-12-18(20)11-25)28-24(33)30-4-2-3-16-9-17(19(14-31)27-23(16)30)13-29-5-6-35-15-22(29)32/h12-13,15,17,22H,1-11,16,18H2,(H2,30,31,33,38);12-13,15,17H,1-11,16,18H2,(H2,29,30,32,38);10-11,13,15,18H,1-9,14,16-17H2,(H2,29,30,32,37);10-11,13,15,20H,1-9,14,16H2,(H2,28,29,31,36);9-11,13H,2-8,12,14H2,1H3,(H2,26,27,29,34);9-10,12,14H,2-8,13,15H2,1H3,(H,26,28,33)
InChIKeyBHNYPVMYZAXZEM-UHFFFAOYSA-N
XLogP13.83
TPSA880.66 Ų
H-Bond Donors11
H-Bond Acceptors55
Rotatable Bonds53
Heavy Atoms229
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003169.54
LogP ≤ 513.83
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1055

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze N-[5-cyano-4-(2-cyclopentyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-[2-(cyclopropylmethoxy)ethylamino]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-cyclopropyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methoxyethylsulfanyl)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;[6-[[7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl]amino]-4-(2-methoxyethylamino)-3-pyridinyl] thiocyanate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(2-cyclopentyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-[2-(cyclopropylmethoxy)ethylamino]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-cyclopropyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methoxyethylsulfanyl)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;[6-[[7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl]amino]-4-(2-methoxyethylamino)-3-pyridinyl] thiocyanate?
The IUPAC name of N-[5-cyano-4-(2-cyclopentyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-[2-(cyclopropylmethoxy)ethylamino]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-cyclopropyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methoxyethylsulfanyl)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;[6-[[7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl]amino]-4-(2-methoxyethylamino)-3-pyridinyl] thiocyanate (CID 157351194) is N-[5-cyano-4-(2-cyclopentyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-[2-(cyclopropylmethoxy)ethylamino]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-cyclopropyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methoxyethylsulfanyl)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;[6-[[7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl]amino]-4-(2-methoxyethylamino)-3-pyridinyl] thiocyanate.
What is the SMILES notation for N-[5-cyano-4-(2-cyclopentyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-[2-(cyclopropylmethoxy)ethylamino]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-cyclopropyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methoxyethylsulfanyl)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;[6-[[7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl]amino]-4-(2-methoxyethylamino)-3-pyridinyl] thiocyanate?
The canonical SMILES for N-[5-cyano-4-(2-cyclopentyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-[2-(cyclopropylmethoxy)ethylamino]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-cyclopropyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methoxyethylsulfanyl)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;[6-[[7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl]amino]-4-(2-methoxyethylamino)-3-pyridinyl] thiocyanate is COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc32)ncc1SC#N.COCCSc1cc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc32)ncc1C#N.N#Cc1cnc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc32)cc1NCCN1CCCC1.N#Cc1cnc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc32)cc1NCCOC1CC1.N#Cc1cnc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc32)cc1NCCOC1CCCC1.N#Cc1cnc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc32)cc1NCCOCC1CC1.
What is the InChIKey of N-[5-cyano-4-(2-cyclopentyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-[2-(cyclopropylmethoxy)ethylamino]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-cyclopropyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methoxyethylsulfanyl)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;[6-[[7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl]amino]-4-(2-methoxyethylamino)-3-pyridinyl] thiocyanate?
The InChIKey is BHNYPVMYZAXZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O5.C27H32N8O4.C27H31N7O5.C26H29N7O5.C24H27N7O5S.C24H26N6O5S/c29-14-21-15-31-25(13-23(21)30-7-10-40-22-5-1-2-6-22)33-28(38)35-8-3-4-19-12-20(24(17-36)32-27(19)35)16-34-9-11-39-18-26(34)37;28-14-21-15-30-24(13-22(21)29-5-9-33-6-1-2-7-33)32-27(38)35-8-3-4-19-12-20(23(17-36)31-26(19)35)16-34-10-11-39-18-25(34)37;28-12-21-13-30-24(11-22(21)29-5-8-38-16-18-3-4-18)32-27(37)34-6-1-2-19-10-20(23(15-35)31-26(19)34)14-33-7-9-39-17-25(33)36;27-12-19-13-29-23(11-21(19)28-5-8-38-20-3-4-20)31-26(36)33-6-1-2-17-10-18(22(15-34)30-25(17)33)14-32-7-9-37-16-24(32)35;1-35-7-4-26-18-10-21(27-11-20(18)37-15-25)29-24(34)31-5-2-3-16-9-17(19(13-32)28-23(16)31)12-30-6-8-36-14-22(30)33;1-34-7-8-36-20-10-21(26-12-18(20)11-25)28-24(33)30-4-2-3-16-9-17(19(14-31)27-23(16)30)13-29-5-6-35-15-22(29)32/h12-13,15,17,22H,1-11,16,18H2,(H2,30,31,33,38);12-13,15,17H,1-11,16,18H2,(H2,29,30,32,38);10-11,13,15,18H,1-9,14,16-17H2,(H2,29,30,32,37);10-11,13,15,20H,1-9,14,16H2,(H2,28,29,31,36);9-11,13H,2-8,12,14H2,1H3,(H2,26,27,29,34);9-10,12,14H,2-8,13,15H2,1H3,(H,26,28,33).
What are the key properties of N-[5-cyano-4-(2-cyclopentyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-[2-(cyclopropylmethoxy)ethylamino]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-cyclopropyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methoxyethylsulfanyl)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;[6-[[7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl]amino]-4-(2-methoxyethylamino)-3-pyridinyl] thiocyanate?
N-[5-cyano-4-(2-cyclopentyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-[2-(cyclopropylmethoxy)ethylamino]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-cyclopropyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methoxyethylsulfanyl)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;[6-[[7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl]amino]-4-(2-methoxyethylamino)-3-pyridinyl] thiocyanate has a molecular weight of 3169.54 g/mol, XLogP of 13.83, 53 rotatable bonds, 11 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-(2-cyclopentyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-[2-(cyclopropylmethoxy)ethylamino]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-cyclopropyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methoxyethylsulfanyl)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;[6-[[7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carbonyl]amino]-4-(2-methoxyethylamino)-3-pyridinyl] thiocyanate is sourced from PubChem (CID 157351194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).