5-(N-benzylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

C25H22N4O — CID 109191562

IUPAC5-(N-benzylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(N(Cc2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C25H22N4O/c30-25(28-17-20-13-15-26-16-14-20)24-12-11-23(18-27-24)29(22-9-5-2-6-10-22)19-21-7-3-1-4-8-21/h1-16,18H,17,19H2,(H,28,30)
InChIKeyYHNVZLDCQZBPGL-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.74
Rot. Bonds7

About 5-(N-benzylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

5-(N-benzylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 109191562) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is 5-(N-benzylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(N-benzylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
PubChem CID109191562
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name5-(N-benzylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(N(Cc2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C25H22N4O/c30-25(28-17-20-13-15-26-16-14-20)24-12-11-23(18-27-24)29(22-9-5-2-6-10-22)19-21-7-3-1-4-8-21/h1-16,18H,17,19H2,(H,28,30)
InChIKeyYHNVZLDCQZBPGL-UHFFFAOYSA-N
XLogP4.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(N-benzylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-phenyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 110683582
6-N-benzyl-6-N-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097660
5-(N-ethylanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194856
6-N-benzyl-6-N-ethyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098074
5-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 104642246
5-(aminomethyl)-N-benzylpyridine-2-carboxamide
CID 55230776
N-(2-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191597
5-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109192949
5-[benzyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109233157
5-anilino-N-benzylpyridine-2-carboxamide
CID 109187879
5-[benzyl(methyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109189239
6-(N-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109350320

Frequently Asked Questions

What is the IUPAC name of 5-(N-benzylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(N-benzylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (CID 109191562) is 5-(N-benzylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(N-benzylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(N-benzylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is O=C(NCc1ccncc1)c1ccc(N(Cc2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 5-(N-benzylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is YHNVZLDCQZBPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c30-25(28-17-20-13-15-26-16-14-20)24-12-11-23(18-27-24)29(22-9-5-2-6-10-22)19-21-7-3-1-4-8-21/h1-16,18H,17,19H2,(H,28,30).
What are the key properties of 5-(N-benzylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
5-(N-benzylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-benzylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109191562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).