tert-butyl 2-[3-[3-(4-tert-butylphenyl)propanoylamino]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]acetate;3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide

C132H157F3N18O12 — CID 159993846

IUPACtert-butyl 2-[3-[3-(4-tert-butylphenyl)propanoylamino]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]acetate;3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCC(C)(C)OC(=O)CN1CCc2ncc(NC(=O)CCc3ccc(C(C)(C)C)cc3)nc2C1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)c(-c2nn[nH]n2)c1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)nc1.CCN(CC)c1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1.Cc1cc(NC(=O)CCc2ccc(C(C)(C)C)cc2)c2ccccc2n1.O=C(CCc1ccc(C(F)(F)F)nc1)Nc1ccc2cccnc2c1
InChIInChI=1S/C26H36N4O3.C23H26N2O.C23H32N2O.C22H25N5O3.C20H24N2O3.C18H14F3N3O/c1-25(2,3)19-10-7-18(8-11-19)9-12-23(31)29-22-15-27-20-13-14-30(16-21(20)28-22)17-24(32)33-26(4,5)6;1-16-15-21(19-7-5-6-8-20(19)24-16)25-22(26)14-11-17-9-12-18(13-10-17)23(2,3)4;1-6-25(7-2)21-15-13-20(14-16-21)24-22(26)17-10-18-8-11-19(12-9-18)23(3,4)5;1-22(2,3)15-6-4-14(17(12-15)21-24-26-27-25-21)5-9-20(28)23-16-7-8-18-19(13-16)30-11-10-29-18;1-20(2,3)14-4-5-15(21-13-14)7-9-19(23)22-16-6-8-17-18(12-16)25-11-10-24-17;19-18(20,21)16-7-3-12(11-23-16)4-8-17(25)24-14-6-5-13-2-1-9-22-15(13)10-14/h7-8,10-11,15H,9,12-14,16-17H2,1-6H3,(H,28,29,31);5-10,12-13,15H,11,14H2,1-4H3,(H,24,25,26);8-9,11-16H,6-7,10,17H2,1-5H3,(H,24,26);4,6-8,12-13H,5,9-11H2,1-3H3,(H,23,28)(H,24,25,26,27);4-6,8,12-13H,7,9-11H2,1-3H3,(H,22,23);1-3,5-7,9-11H,4,8H2,(H,24,25)
InChIKeyOHHFUTUKDABHJE-UHFFFAOYSA-N
MW2244.82 g/mol
LogP26.31
Rot. Bonds30

About tert-butyl 2-[3-[3-(4-tert-butylphenyl)propanoylamino]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]acetate;3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide

tert-butyl 2-[3-[3-(4-tert-butylphenyl)propanoylamino]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]acetate;3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide (PubChem CID 159993846) has the molecular formula C132H157F3N18O12 and a molecular weight of 2244.82 g/mol. Its IUPAC name is tert-butyl 2-[3-[3-(4-tert-butylphenyl)propanoylamino]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]acetate;3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Nametert-butyl 2-[3-[3-(4-tert-butylphenyl)propanoylamino]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]acetate;3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
PubChem CID159993846
Molecular FormulaC132H157F3N18O12
Molecular Weight2244.82 g/mol
Exact Mass2243.22
IUPAC Nametert-butyl 2-[3-[3-(4-tert-butylphenyl)propanoylamino]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]acetate;3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCC(C)(C)OC(=O)CN1CCc2ncc(NC(=O)CCc3ccc(C(C)(C)C)cc3)nc2C1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)c(-c2nn[nH]n2)c1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)nc1.CCN(CC)c1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1.Cc1cc(NC(=O)CCc2ccc(C(C)(C)C)cc2)c2ccccc2n1.O=C(CCc1ccc(C(F)(F)F)nc1)Nc1ccc2cccnc2c1
InChIInChI=1S/C26H36N4O3.C23H26N2O.C23H32N2O.C22H25N5O3.C20H24N2O3.C18H14F3N3O/c1-25(2,3)19-10-7-18(8-11-19)9-12-23(31)29-22-15-27-20-13-14-30(16-21(20)28-22)17-24(32)33-26(4,5)6;1-16-15-21(19-7-5-6-8-20(19)24-16)25-22(26)14-11-17-9-12-18(13-10-17)23(2,3)4;1-6-25(7-2)21-15-13-20(14-16-21)24-22(26)17-10-18-8-11-19(12-9-18)23(3,4)5;1-22(2,3)15-6-4-14(17(12-15)21-24-26-27-25-21)5-9-20(28)23-16-7-8-18-19(13-16)30-11-10-29-18;1-20(2,3)14-4-5-15(21-13-14)7-9-19(23)22-16-6-8-17-18(12-16)25-11-10-24-17;19-18(20,21)16-7-3-12(11-23-16)4-8-17(25)24-14-6-5-13-2-1-9-22-15(13)10-14/h7-8,10-11,15H,9,12-14,16-17H2,1-6H3,(H,28,29,31);5-10,12-13,15H,11,14H2,1-4H3,(H,24,25,26);8-9,11-16H,6-7,10,17H2,1-5H3,(H,24,26);4,6-8,12-13H,5,9-11H2,1-3H3,(H,23,28)(H,24,25,26,27);4-6,8,12-13H,7,9-11H2,1-3H3,(H,22,23);1-3,5-7,9-11H,4,8H2,(H,24,25)
InChIKeyOHHFUTUKDABHJE-UHFFFAOYSA-N
XLogP26.31
TPSA376.10 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds30
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002244.82
LogP ≤ 526.31
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze tert-butyl 2-[3-[3-(4-tert-butylphenyl)propanoylamino]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]acetate;3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide with MolForge

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Related Compounds

3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 159325528
tert-butyl 2-[7-[3-(4-tert-butylphenyl)propanoylamino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate;3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(4-tert-butylphenyl)-N-pyrazin-2-ylpropanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 159770689
3-(4-tert-butyl-2-methylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-imidazol-1-ylhexanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]propanamide
CID 161244007
tert-butyl 2-[7-[3-(4-tert-butylphenyl)propanoylamino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate;3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-pyrazin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-quinolin-8-ylpropanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 157241790

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-[3-(4-tert-butylphenyl)propanoylamino]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]acetate;3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The IUPAC name of tert-butyl 2-[3-[3-(4-tert-butylphenyl)propanoylamino]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]acetate;3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide (CID 159993846) is tert-butyl 2-[3-[3-(4-tert-butylphenyl)propanoylamino]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]acetate;3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide.
What is the SMILES notation for tert-butyl 2-[3-[3-(4-tert-butylphenyl)propanoylamino]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]acetate;3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The canonical SMILES for tert-butyl 2-[3-[3-(4-tert-butylphenyl)propanoylamino]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]acetate;3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide is CC(C)(C)OC(=O)CN1CCc2ncc(NC(=O)CCc3ccc(C(C)(C)C)cc3)nc2C1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)c(-c2nn[nH]n2)c1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)nc1.CCN(CC)c1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1.Cc1cc(NC(=O)CCc2ccc(C(C)(C)C)cc2)c2ccccc2n1.O=C(CCc1ccc(C(F)(F)F)nc1)Nc1ccc2cccnc2c1.
What is the InChIKey of tert-butyl 2-[3-[3-(4-tert-butylphenyl)propanoylamino]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]acetate;3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The InChIKey is OHHFUTUKDABHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O3.C23H26N2O.C23H32N2O.C22H25N5O3.C20H24N2O3.C18H14F3N3O/c1-25(2,3)19-10-7-18(8-11-19)9-12-23(31)29-22-15-27-20-13-14-30(16-21(20)28-22)17-24(32)33-26(4,5)6;1-16-15-21(19-7-5-6-8-20(19)24-16)25-22(26)14-11-17-9-12-18(13-10-17)23(2,3)4;1-6-25(7-2)21-15-13-20(14-16-21)24-22(26)17-10-18-8-11-19(12-9-18)23(3,4)5;1-22(2,3)15-6-4-14(17(12-15)21-24-26-27-25-21)5-9-20(28)23-16-7-8-18-19(13-16)30-11-10-29-18;1-20(2,3)14-4-5-15(21-13-14)7-9-19(23)22-16-6-8-17-18(12-16)25-11-10-24-17;19-18(20,21)16-7-3-12(11-23-16)4-8-17(25)24-14-6-5-13-2-1-9-22-15(13)10-14/h7-8,10-11,15H,9,12-14,16-17H2,1-6H3,(H,28,29,31);5-10,12-13,15H,11,14H2,1-4H3,(H,24,25,26);8-9,11-16H,6-7,10,17H2,1-5H3,(H,24,26);4,6-8,12-13H,5,9-11H2,1-3H3,(H,23,28)(H,24,25,26,27);4-6,8,12-13H,7,9-11H2,1-3H3,(H,22,23);1-3,5-7,9-11H,4,8H2,(H,24,25).
What are the key properties of tert-butyl 2-[3-[3-(4-tert-butylphenyl)propanoylamino]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]acetate;3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
tert-butyl 2-[3-[3-(4-tert-butylphenyl)propanoylamino]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]acetate;3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide has a molecular weight of 2244.82 g/mol, XLogP of 26.31, 30 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-[3-(4-tert-butylphenyl)propanoylamino]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]acetate;3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide is sourced from PubChem (CID 159993846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).