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

C21H21N3O — CID 109232132

IUPACN-(3-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cncc(NCc3ccccc3C)c2)c1
InChIInChI=1S/C21H21N3O/c1-15-6-5-9-19(10-15)24-21(25)18-11-20(14-22-12-18)23-13-17-8-4-3-7-16(17)2/h3-12,14,23H,13H2,1-2H3,(H,24,25)
InChIKeyCPYSZRVWMVGFKP-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.56
Rot. Bonds5

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

N-(3-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109232132) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(3-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
PubChem CID109232132
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-(3-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cncc(NCc3ccccc3C)c2)c1
InChIInChI=1S/C21H21N3O/c1-15-6-5-9-19(10-15)24-21(25)18-11-20(14-22-12-18)23-13-17-8-4-3-7-16(17)2/h3-12,14,23H,13H2,1-2H3,(H,24,25)
InChIKeyCPYSZRVWMVGFKP-UHFFFAOYSA-N
XLogP4.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232130
N-(4-ethylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232144
N-tert-butyl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232118
N-(3,5-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233459
5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241836
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
N-(3-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232423
N-(3-fluorophenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233510
N-butan-2-yl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109225134
5-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 115748884
N-(4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232401

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(3-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide (CID 109232132) is N-(3-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide is Cc1cccc(NC(=O)c2cncc(NCc3ccccc3C)c2)c1.
What is the InChIKey of N-(3-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is CPYSZRVWMVGFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15-6-5-9-19(10-15)24-21(25)18-11-20(14-22-12-18)23-13-17-8-4-3-7-16(17)2/h3-12,14,23H,13H2,1-2H3,(H,24,25).
What are the key properties of N-(3-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
N-(3-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109232132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).