2-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide

C21H18ClN3O2 — CID 109086762

IUPAC2-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCc1ccccc1NC(=O)c1ccnc(C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H18ClN3O2/c1-14-4-2-3-5-18(14)25-20(26)16-10-11-23-19(12-16)21(27)24-13-15-6-8-17(22)9-7-15/h2-12H,13H2,1H3,(H,24,27)(H,25,26)
InChIKeySHEPOAWIJNUEQR-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.23
Rot. Bonds5

About 2-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide

2-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109086762) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 2-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109086762
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name2-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCc1ccccc1NC(=O)c1ccnc(C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H18ClN3O2/c1-14-4-2-3-5-18(14)25-20(26)16-10-11-23-19(12-16)21(27)24-13-15-6-8-17(22)9-7-15/h2-12H,13H2,1H3,(H,24,27)(H,25,26)
InChIKeySHEPOAWIJNUEQR-UHFFFAOYSA-N
XLogP4.23
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109086782
4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085349
4-N-(4-chloro-2-methylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087656
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399
2-N-(5-chloro-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085897
2-N-benzyl-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109085462
4-N-(2,5-dimethylphenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085961
2-N-(3-chloro-4-fluorophenyl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091011
4-N-(2-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091026
4-N-(2-methylphenyl)-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109090998
4-N-(2-ethylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087638
2-N-(2-chlorophenyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085561

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide (CID 109086762) is 2-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide is Cc1ccccc1NC(=O)c1ccnc(C(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is SHEPOAWIJNUEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-14-4-2-3-5-18(14)25-20(26)16-10-11-23-19(12-16)21(27)24-13-15-6-8-17(22)9-7-15/h2-12H,13H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide?
2-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 379.85 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109086762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).