5-[(4-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridine-2-carboxamide

C20H18ClN3O — CID 109190099

IUPAC5-[(4-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccccc1NC(=O)c1ccc(NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C20H18ClN3O/c1-14-4-2-3-5-18(14)24-20(25)19-11-10-17(13-23-19)22-12-15-6-8-16(21)9-7-15/h2-11,13,22H,12H2,1H3,(H,24,25)
InChIKeyYRPWFNQHTUGEMR-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.91
Rot. Bonds5

About 5-[(4-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridine-2-carboxamide

5-[(4-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridine-2-carboxamide (PubChem CID 109190099) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridine-2-carboxamide
PubChem CID109190099
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Name5-[(4-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccccc1NC(=O)c1ccc(NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C20H18ClN3O/c1-14-4-2-3-5-18(14)24-20(25)19-11-10-17(13-23-19)22-12-15-6-8-16(21)9-7-15/h2-11,13,22H,12H2,1H3,(H,24,25)
InChIKeyYRPWFNQHTUGEMR-UHFFFAOYSA-N
XLogP4.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-5-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188780
5-(ethylamino)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 104640059
N-(5-chloro-2-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188556
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-methylbenzamide
CID 113012276
N-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109190131
5-(4-fluoroanilino)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109197166
N-(4-chloro-2-methylphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190315
2-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086762
4-[2-(4-chlorophenyl)ethylamino]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109215473
5-(2-ethoxyanilino)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109197177
N-(4-ethylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188308
5-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109188310

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridine-2-carboxamide (CID 109190099) is 5-[(4-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridine-2-carboxamide is Cc1ccccc1NC(=O)c1ccc(NCc2ccc(Cl)cc2)cn1.
What is the InChIKey of 5-[(4-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridine-2-carboxamide?
The InChIKey is YRPWFNQHTUGEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-14-4-2-3-5-18(14)24-20(25)19-11-10-17(13-23-19)22-12-15-6-8-16(21)9-7-15/h2-11,13,22H,12H2,1H3,(H,24,25).
What are the key properties of 5-[(4-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridine-2-carboxamide?
5-[(4-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridine-2-carboxamide has a molecular weight of 351.84 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109190099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).