N-[5-cyano-4-(3-methylsulfanylpropyl)-2-pyridinyl]-6-[[[1-(dimethylamino)cyclopropanecarbonyl]-methylamino]methyl]-7-methoxy-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C28H37N7O3S — CID 157352812

IUPACN-[5-cyano-4-(3-methylsulfanylpropyl)-2-pyridinyl]-6-[[[1-(dimethylamino)cyclopropanecarbonyl]-methylamino]methyl]-7-methoxy-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOc1nc2c(cc1CN(C)C(=O)C1(N(C)C)CC1)CCCN2C(=O)Nc1cc(CCCSC)c(C#N)cn1
InChIInChI=1S/C28H37N7O3S/c1-33(2)28(10-11-28)26(36)34(3)18-21-14-20-8-6-12-35(24(20)32-25(21)38-4)27(37)31-23-15-19(9-7-13-39-5)22(16-29)17-30-23/h14-15,17H,6-13,18H2,1-5H3,(H,30,31,37)
InChIKeyBHSRNZOOXKWYER-UHFFFAOYSA-N
MW551.72 g/mol
LogP3.69
Rot. Bonds10

About N-[5-cyano-4-(3-methylsulfanylpropyl)-2-pyridinyl]-6-[[[1-(dimethylamino)cyclopropanecarbonyl]-methylamino]methyl]-7-methoxy-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-(3-methylsulfanylpropyl)-2-pyridinyl]-6-[[[1-(dimethylamino)cyclopropanecarbonyl]-methylamino]methyl]-7-methoxy-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 157352812) has the molecular formula C28H37N7O3S and a molecular weight of 551.72 g/mol. Its IUPAC name is N-[5-cyano-4-(3-methylsulfanylpropyl)-2-pyridinyl]-6-[[[1-(dimethylamino)cyclopropanecarbonyl]-methylamino]methyl]-7-methoxy-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-(3-methylsulfanylpropyl)-2-pyridinyl]-6-[[[1-(dimethylamino)cyclopropanecarbonyl]-methylamino]methyl]-7-methoxy-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID157352812
Molecular FormulaC28H37N7O3S
Molecular Weight551.72 g/mol
Exact Mass551.27
IUPAC NameN-[5-cyano-4-(3-methylsulfanylpropyl)-2-pyridinyl]-6-[[[1-(dimethylamino)cyclopropanecarbonyl]-methylamino]methyl]-7-methoxy-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOc1nc2c(cc1CN(C)C(=O)C1(N(C)C)CC1)CCCN2C(=O)Nc1cc(CCCSC)c(C#N)cn1
InChIInChI=1S/C28H37N7O3S/c1-33(2)28(10-11-28)26(36)34(3)18-21-14-20-8-6-12-35(24(20)32-25(21)38-4)27(37)31-23-15-19(9-7-13-39-5)22(16-29)17-30-23/h14-15,17H,6-13,18H2,1-5H3,(H,30,31,37)
InChIKeyBHSRNZOOXKWYER-UHFFFAOYSA-N
XLogP3.69
TPSA114.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.72
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5-cyano-4-(3-methylsulfanylpropyl)-2-pyridinyl]-6-[[[1-(dimethylamino)cyclopropanecarbonyl]-methylamino]methyl]-7-methoxy-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(3-methylsulfanylpropyl)-2-pyridinyl]-6-[[[1-(dimethylamino)cyclopropanecarbonyl]-methylamino]methyl]-7-methoxy-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-(3-methylsulfanylpropyl)-2-pyridinyl]-6-[[[1-(dimethylamino)cyclopropanecarbonyl]-methylamino]methyl]-7-methoxy-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 157352812) is N-[5-cyano-4-(3-methylsulfanylpropyl)-2-pyridinyl]-6-[[[1-(dimethylamino)cyclopropanecarbonyl]-methylamino]methyl]-7-methoxy-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-cyano-4-(3-methylsulfanylpropyl)-2-pyridinyl]-6-[[[1-(dimethylamino)cyclopropanecarbonyl]-methylamino]methyl]-7-methoxy-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-(3-methylsulfanylpropyl)-2-pyridinyl]-6-[[[1-(dimethylamino)cyclopropanecarbonyl]-methylamino]methyl]-7-methoxy-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COc1nc2c(cc1CN(C)C(=O)C1(N(C)C)CC1)CCCN2C(=O)Nc1cc(CCCSC)c(C#N)cn1.
What is the InChIKey of N-[5-cyano-4-(3-methylsulfanylpropyl)-2-pyridinyl]-6-[[[1-(dimethylamino)cyclopropanecarbonyl]-methylamino]methyl]-7-methoxy-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is BHSRNZOOXKWYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N7O3S/c1-33(2)28(10-11-28)26(36)34(3)18-21-14-20-8-6-12-35(24(20)32-25(21)38-4)27(37)31-23-15-19(9-7-13-39-5)22(16-29)17-30-23/h14-15,17H,6-13,18H2,1-5H3,(H,30,31,37).
What are the key properties of N-[5-cyano-4-(3-methylsulfanylpropyl)-2-pyridinyl]-6-[[[1-(dimethylamino)cyclopropanecarbonyl]-methylamino]methyl]-7-methoxy-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-(3-methylsulfanylpropyl)-2-pyridinyl]-6-[[[1-(dimethylamino)cyclopropanecarbonyl]-methylamino]methyl]-7-methoxy-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 551.72 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-(3-methylsulfanylpropyl)-2-pyridinyl]-6-[[[1-(dimethylamino)cyclopropanecarbonyl]-methylamino]methyl]-7-methoxy-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 157352812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).