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

C18H15N3O — CID 110683582

IUPAC5-phenyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C18H15N3O/c22-18(21-12-14-8-10-19-11-9-14)17-7-6-16(13-20-17)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,21,22)
InChIKeyGQIRGWDWUHOXBD-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.07
Rot. Bonds4

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

5-phenyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 110683582) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-phenyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
PubChem CID110683582
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name5-phenyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C18H15N3O/c22-18(21-12-14-8-10-19-11-9-14)17-7-6-16(13-20-17)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,21,22)
InChIKeyGQIRGWDWUHOXBD-UHFFFAOYSA-N
XLogP3.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
CID 110683588
5-(N-benzylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191562
5-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 104642246
N-[(2-methoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
CID 110683577
5-phenyl-N-pyrimidin-2-ylpyridine-2-carboxamide
CID 110683610
N-(2-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191597
5-(aminomethyl)-N-benzylpyridine-2-carboxamide
CID 55230776
5-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191533
5-[(2-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109190258
5-anilino-N-benzylpyridine-2-carboxamide
CID 109187879
N-(pyridin-4-ylmethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109191479
5-(4-acetamidoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191552

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-phenyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (CID 110683582) is 5-phenyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-phenyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-phenyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is O=C(NCc1ccncc1)c1ccc(-c2ccccc2)cn1.
What is the InChIKey of 5-phenyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is GQIRGWDWUHOXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c22-18(21-12-14-8-10-19-11-9-14)17-7-6-16(13-20-17)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,21,22).
What are the key properties of 5-phenyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
5-phenyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 110683582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).