5-(3,5-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide

C21H21N3O — CID 109197567

IUPAC5-(3,5-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
SMILESCc1cc(C)cc(Nc2ccc(C(=O)N(C)c3ccccc3)nc2)c1
InChIInChI=1S/C21H21N3O/c1-15-11-16(2)13-18(12-15)23-17-9-10-20(22-14-17)21(25)24(3)19-7-5-4-6-8-19/h4-14,23H,1-3H3
InChIKeyCUYKPGFDGJHNRM-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.72
Rot. Bonds4

About 5-(3,5-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide

5-(3,5-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide (PubChem CID 109197567) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-(3,5-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
PubChem CID109197567
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name5-(3,5-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
SMILESCc1cc(C)cc(Nc2ccc(C(=O)N(C)c3ccccc3)nc2)c1
InChIInChI=1S/C21H21N3O/c1-15-11-16(2)13-18(12-15)23-17-9-10-20(22-14-17)21(25)24(3)19-7-5-4-6-8-19/h4-14,23H,1-3H3
InChIKeyCUYKPGFDGJHNRM-UHFFFAOYSA-N
XLogP4.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,5-dichloroanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197632
5-(4-acetylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197604
methyl 4-[[6-[methyl(phenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109197609
N-(3,5-dimethylphenyl)-N-methyl-5-(methylamino)pyridine-2-carboxamide
CID 104640795
5-(3,5-dimethylanilino)-N-phenylpyridine-2-carboxamide
CID 109196969
N-methyl-N-phenyl-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109197573
N-methyl-N-phenyl-5-(propylamino)pyridine-2-carboxamide
CID 109179331
5-(2-ethoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197592
5-[2-(dimethylamino)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide
CID 109185536
N-methyl-5-[(2-methylphenyl)methylamino]-N-phenylpyridine-2-carboxamide
CID 109188298
5-(2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197597
5-(5-chloro-2-methoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197586

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide?
The IUPAC name of 5-(3,5-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide (CID 109197567) is 5-(3,5-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 5-(3,5-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 5-(3,5-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide is Cc1cc(C)cc(Nc2ccc(C(=O)N(C)c3ccccc3)nc2)c1.
What is the InChIKey of 5-(3,5-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide?
The InChIKey is CUYKPGFDGJHNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15-11-16(2)13-18(12-15)23-17-9-10-20(22-14-17)21(25)24(3)19-7-5-4-6-8-19/h4-14,23H,1-3H3.
What are the key properties of 5-(3,5-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide?
5-(3,5-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 109197567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).