5-[(2-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide

C20H19N3O — CID 109232130

IUPAC5-[(2-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
SMILESCc1ccccc1CNc1cncc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H19N3O/c1-15-7-5-6-8-16(15)13-22-19-11-17(12-21-14-19)20(24)23-18-9-3-2-4-10-18/h2-12,14,22H,13H2,1H3,(H,23,24)
InChIKeySQNMIFCRINXNAZ-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.25
Rot. Bonds5

About 5-[(2-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide

5-[(2-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide (PubChem CID 109232130) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-[(2-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
PubChem CID109232130
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name5-[(2-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
SMILESCc1ccccc1CNc1cncc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H19N3O/c1-15-7-5-6-8-16(15)13-22-19-11-17(12-21-14-19)20(24)23-18-9-3-2-4-10-18/h2-12,14,22H,13H2,1H3,(H,23,24)
InChIKeySQNMIFCRINXNAZ-UHFFFAOYSA-N
XLogP4.25
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232132
N-(4-ethylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232144
N-tert-butyl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232118
5-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109232147
5-[(2-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109232172
5-[(4-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232664
N-butan-2-yl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109225134
5-[(2-fluorophenyl)methylamino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109233450
N-(2,5-dimethoxyphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232174
N-(3,5-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233459
N-(2,3-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233461
N-(3-fluorophenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233510

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide?
The IUPAC name of 5-[(2-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide (CID 109232130) is 5-[(2-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 5-[(2-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 5-[(2-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide is Cc1ccccc1CNc1cncc(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 5-[(2-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide?
The InChIKey is SQNMIFCRINXNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-15-7-5-6-8-16(15)13-22-19-11-17(12-21-14-19)20(24)23-18-9-3-2-4-10-18/h2-12,14,22H,13H2,1H3,(H,23,24).
What are the key properties of 5-[(2-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide?
5-[(2-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 109232130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).