6-N-(3-chloro-4-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide

C20H17ClN4O3 — CID 109098282

IUPAC6-N-(3-chloro-4-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cccc(C(=O)NCc3cccnc3)n2)cc1Cl
InChIInChI=1S/C20H17ClN4O3/c1-28-18-8-7-14(10-15(18)21)24-20(27)17-6-2-5-16(25-17)19(26)23-12-13-4-3-9-22-11-13/h2-11H,12H2,1H3,(H,23,26)(H,24,27)
InChIKeyFQHYNVQKAGVMHH-UHFFFAOYSA-N
MW396.83 g/mol
LogP3.32
Rot. Bonds6

About 6-N-(3-chloro-4-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide

6-N-(3-chloro-4-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide (PubChem CID 109098282) has the molecular formula C20H17ClN4O3 and a molecular weight of 396.83 g/mol. Its IUPAC name is 6-N-(3-chloro-4-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(3-chloro-4-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
PubChem CID109098282
Molecular FormulaC20H17ClN4O3
Molecular Weight396.83 g/mol
Exact Mass396.10
IUPAC Name6-N-(3-chloro-4-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cccc(C(=O)NCc3cccnc3)n2)cc1Cl
InChIInChI=1S/C20H17ClN4O3/c1-28-18-8-7-14(10-15(18)21)24-20(27)17-6-2-5-16(25-17)19(26)23-12-13-4-3-9-22-11-13/h2-11H,12H2,1H3,(H,23,26)(H,24,27)
InChIKeyFQHYNVQKAGVMHH-UHFFFAOYSA-N
XLogP3.32
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-N-(3-chloro-4-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963572
6-[(3-chloro-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558305
2-N-(3,4-dimethoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087380
6-N-(3-chloro-4-methoxyphenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096594
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
N-(pyridin-3-ylmethyl)-6-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 117085171
2-N-benzyl-4-N-(3-chloro-4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109085469
6-N-(2,6-dimethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098258
6-N-(4-methoxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098383
6-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 113343016
5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191185
2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109095843

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chloro-4-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(3-chloro-4-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide (CID 109098282) is 6-N-(3-chloro-4-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(3-chloro-4-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(3-chloro-4-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide is COc1ccc(NC(=O)c2cccc(C(=O)NCc3cccnc3)n2)cc1Cl.
What is the InChIKey of 6-N-(3-chloro-4-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide?
The InChIKey is FQHYNVQKAGVMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O3/c1-28-18-8-7-14(10-15(18)21)24-20(27)17-6-2-5-16(25-17)19(26)23-12-13-4-3-9-22-11-13/h2-11H,12H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 6-N-(3-chloro-4-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide?
6-N-(3-chloro-4-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide has a molecular weight of 396.83 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chloro-4-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109098282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).