5-(benzylamino)-N-methyl-N-phenylpyridine-3-carboxamide

C20H19N3O — CID 109231849

IUPAC5-(benzylamino)-N-methyl-N-phenylpyridine-3-carboxamide
SMILESCN(C(=O)c1cncc(NCc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C20H19N3O/c1-23(19-10-6-3-7-11-19)20(24)17-12-18(15-21-14-17)22-13-16-8-4-2-5-9-16/h2-12,14-15,22H,13H2,1H3
InChIKeyGRLOECGHCTWDSB-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.97
Rot. Bonds5

About 5-(benzylamino)-N-methyl-N-phenylpyridine-3-carboxamide

5-(benzylamino)-N-methyl-N-phenylpyridine-3-carboxamide (PubChem CID 109231849) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-(benzylamino)-N-methyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(benzylamino)-N-methyl-N-phenylpyridine-3-carboxamide
PubChem CID109231849
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name5-(benzylamino)-N-methyl-N-phenylpyridine-3-carboxamide
SMILESCN(C(=O)c1cncc(NCc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C20H19N3O/c1-23(19-10-6-3-7-11-19)20(24)17-12-18(15-21-14-17)22-13-16-8-4-2-5-9-16/h2-12,14-15,22H,13H2,1H3
InChIKeyGRLOECGHCTWDSB-UHFFFAOYSA-N
XLogP3.97
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(benzylamino)-N-butyl-N-methylpyridine-3-carboxamide
CID 109231838
N-methyl-5-(oxolan-2-ylmethylamino)-N-phenylpyridine-3-carboxamide
CID 109228985
N-methyl-5-(2-morpholin-4-ylethylamino)-N-phenylpyridine-3-carboxamide
CID 109229643
N-methyl-5-(4-phenoxyanilino)-N-phenylpyridine-3-carboxamide
CID 109242250
N-methyl-N-phenyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191642
5-(diethylamino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109238902
5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231789
N-methyl-N-(2-pyridin-4-ylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235639
5-(benzylamino)-N-(4-bromophenyl)pyridine-3-carboxamide
CID 109231882
5-(benzylamino)-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 109231930
azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone
CID 109231844
5-[(4-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232664

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-N-methyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of 5-(benzylamino)-N-methyl-N-phenylpyridine-3-carboxamide (CID 109231849) is 5-(benzylamino)-N-methyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 5-(benzylamino)-N-methyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 5-(benzylamino)-N-methyl-N-phenylpyridine-3-carboxamide is CN(C(=O)c1cncc(NCc2ccccc2)c1)c1ccccc1.
What is the InChIKey of 5-(benzylamino)-N-methyl-N-phenylpyridine-3-carboxamide?
The InChIKey is GRLOECGHCTWDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-23(19-10-6-3-7-11-19)20(24)17-12-18(15-21-14-17)22-13-16-8-4-2-5-9-16/h2-12,14-15,22H,13H2,1H3.
What are the key properties of 5-(benzylamino)-N-methyl-N-phenylpyridine-3-carboxamide?
5-(benzylamino)-N-methyl-N-phenylpyridine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-N-methyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 109231849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).