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

C21H21N3O — CID 109188298

IUPACN-methyl-5-[(2-methylphenyl)methylamino]-N-phenylpyridine-2-carboxamide
SMILESCc1ccccc1CNc1ccc(C(=O)N(C)c2ccccc2)nc1
InChIInChI=1S/C21H21N3O/c1-16-8-6-7-9-17(16)14-22-18-12-13-20(23-15-18)21(25)24(2)19-10-4-3-5-11-19/h3-13,15,22H,14H2,1-2H3
InChIKeyXNVYWRRWZRGGCO-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.28
Rot. Bonds5

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

N-methyl-5-[(2-methylphenyl)methylamino]-N-phenylpyridine-2-carboxamide (PubChem CID 109188298) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-methyl-5-[(2-methylphenyl)methylamino]-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[(2-methylphenyl)methylamino]-N-phenylpyridine-2-carboxamide
PubChem CID109188298
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-methyl-5-[(2-methylphenyl)methylamino]-N-phenylpyridine-2-carboxamide
SMILESCc1ccccc1CNc1ccc(C(=O)N(C)c2ccccc2)nc1
InChIInChI=1S/C21H21N3O/c1-16-8-6-7-9-17(16)14-22-18-12-13-20(23-15-18)21(25)24(2)19-10-4-3-5-11-19/h3-13,15,22H,14H2,1-2H3
InChIKeyXNVYWRRWZRGGCO-UHFFFAOYSA-N
XLogP4.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 109191642
N-methyl-N-phenyl-5-(propylamino)pyridine-2-carboxamide
CID 109179331
5-[2-(dimethylamino)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide
CID 109185536
5-(3,5-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197567
N-(3-methylbutyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188286
[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186259
[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109188270
N-(4-ethylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188308
N-(3-methoxypropyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109184207
5-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide
CID 109193694
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide
CID 113026477
4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046812

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2-methylphenyl)methylamino]-N-phenylpyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[(2-methylphenyl)methylamino]-N-phenylpyridine-2-carboxamide (CID 109188298) is N-methyl-5-[(2-methylphenyl)methylamino]-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[(2-methylphenyl)methylamino]-N-phenylpyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[(2-methylphenyl)methylamino]-N-phenylpyridine-2-carboxamide is Cc1ccccc1CNc1ccc(C(=O)N(C)c2ccccc2)nc1.
What is the InChIKey of N-methyl-5-[(2-methylphenyl)methylamino]-N-phenylpyridine-2-carboxamide?
The InChIKey is XNVYWRRWZRGGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-16-8-6-7-9-17(16)14-22-18-12-13-20(23-15-18)21(25)24(2)19-10-4-3-5-11-19/h3-13,15,22H,14H2,1-2H3.
What are the key properties of N-methyl-5-[(2-methylphenyl)methylamino]-N-phenylpyridine-2-carboxamide?
N-methyl-5-[(2-methylphenyl)methylamino]-N-phenylpyridine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2-methylphenyl)methylamino]-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 109188298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).