5-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide

C21H21N3O — CID 109188420

IUPAC5-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)NCc3cccc(C)c3)nc2)cc1
InChIInChI=1S/C21H21N3O/c1-15-6-8-18(9-7-15)24-19-10-11-20(22-14-19)21(25)23-13-17-5-3-4-16(2)12-17/h3-12,14,24H,13H2,1-2H3,(H,23,25)
InChIKeyZEZWBDCXCVAYNX-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.37
Rot. Bonds5

About 5-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide

5-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109188420) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
PubChem CID109188420
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name5-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)NCc3cccc(C)c3)nc2)cc1
InChIInChI=1S/C21H21N3O/c1-15-6-8-18(9-7-15)24-19-10-11-20(22-14-19)21(25)23-13-17-5-3-4-16(2)12-17/h3-12,14,24H,13H2,1-2H3,(H,23,25)
InChIKeyZEZWBDCXCVAYNX-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188428
N-[(3-methylphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109188383
N-[(4-fluorophenyl)methyl]-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188488
5-(4-acetylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188694
5-anilino-N-benzylpyridine-2-carboxamide
CID 109187879
5-(2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188662
6-methyl-2-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327711
5-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191220
5-carbamothioyl-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 63748833
5-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191218
6-N-[(3-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097409
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 5289109

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide (CID 109188420) is 5-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide is Cc1ccc(Nc2ccc(C(=O)NCc3cccc(C)c3)nc2)cc1.
What is the InChIKey of 5-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is ZEZWBDCXCVAYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15-6-8-18(9-7-15)24-19-10-11-20(22-14-19)21(25)23-13-17-5-3-4-16(2)12-17/h3-12,14,24H,13H2,1-2H3,(H,23,25).
What are the key properties of 5-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
5-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109188420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).