5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide

C20H17ClN4O2 — CID 109105950

IUPAC5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCc1ccc(NC(=O)c2cncc(C(=O)NCc3ccccn3)c2)cc1Cl
InChIInChI=1S/C20H17ClN4O2/c1-13-5-6-16(9-18(13)21)25-20(27)15-8-14(10-22-11-15)19(26)24-12-17-4-2-3-7-23-17/h2-11H,12H2,1H3,(H,24,26)(H,25,27)
InChIKeyDDLZOLGECXTBAL-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.62
Rot. Bonds5

About 5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide

5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 109105950) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID109105950
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCc1ccc(NC(=O)c2cncc(C(=O)NCc3ccccn3)c2)cc1Cl
InChIInChI=1S/C20H17ClN4O2/c1-13-5-6-16(9-18(13)21)25-20(27)15-8-14(10-22-11-15)19(26)24-12-17-4-2-3-7-23-17/h2-11H,12H2,1H3,(H,24,26)(H,25,27)
InChIKeyDDLZOLGECXTBAL-UHFFFAOYSA-N
XLogP3.62
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106049
4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047561
5-N-(3-chloro-4-methylphenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105312
3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105096
4-N-(3-chloro-4-methoxyphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047587
3-N-(3-chloro-4-methylphenyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107869
N-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999138
4-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212742
1-N-(3-chloro-4-methylphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109136942
3-N-pentyl-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105911
3-N-(3-methylbutyl)-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105910
4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047684

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide (CID 109105950) is 5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide is Cc1ccc(NC(=O)c2cncc(C(=O)NCc3ccccn3)c2)cc1Cl.
What is the InChIKey of 5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is DDLZOLGECXTBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-13-5-6-16(9-18(13)21)25-20(27)15-8-14(10-22-11-15)19(26)24-12-17-4-2-3-7-23-17/h2-11H,12H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide?
5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide has a molecular weight of 380.84 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).