N-[phenyl(pyridin-4-yl)methyl]pyridine-2-carboxamide

C18H15N3O — CID 47007723

IUPACN-[phenyl(pyridin-4-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccncc1)c1ccccn1
InChIInChI=1S/C18H15N3O/c22-18(16-8-4-5-11-20-16)21-17(14-6-2-1-3-7-14)15-9-12-19-13-10-15/h1-13,17H,(H,21,22)
InChIKeyZFEXEYJPDXPEKN-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.00
Rot. Bonds4

About N-[phenyl(pyridin-4-yl)methyl]pyridine-2-carboxamide

N-[phenyl(pyridin-4-yl)methyl]pyridine-2-carboxamide (PubChem CID 47007723) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[phenyl(pyridin-4-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[phenyl(pyridin-4-yl)methyl]pyridine-2-carboxamide
PubChem CID47007723
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC NameN-[phenyl(pyridin-4-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccncc1)c1ccccn1
InChIInChI=1S/C18H15N3O/c22-18(16-8-4-5-11-20-16)21-17(14-6-2-1-3-7-14)15-9-12-19-13-10-15/h1-13,17H,(H,21,22)
InChIKeyZFEXEYJPDXPEKN-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-amino-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 94572874
N-(2-hydroxy-1,2,2-triphenylethyl)pyridine-2-carboxamide
CID 171976798
N-[(1S,2S)-2-amino-1,2-diphenylethyl]pyridine-2-carboxamide
CID 102488759
N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide
CID 25435351
1-methyl-3-[phenyl(pyridin-4-yl)methyl]urea;hydrochloride
CID 24847582
2-chloro-4-fluoro-N-[(S)-phenyl(pyridin-4-yl)methyl]benzamide
CID 95278071
5-cyclopropyl-N-[phenyl(pyridin-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 74235280
2-bromo-5-chloro-N-[phenyl(pyridin-4-yl)methyl]benzamide
CID 78849670
N-[phenyl(pyridin-4-yl)methyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 74247011
N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide
CID 3977689
N-[phenyl(pyridin-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
CID 131921884

Frequently Asked Questions

What is the IUPAC name of N-[phenyl(pyridin-4-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[phenyl(pyridin-4-yl)methyl]pyridine-2-carboxamide (CID 47007723) is N-[phenyl(pyridin-4-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[phenyl(pyridin-4-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[phenyl(pyridin-4-yl)methyl]pyridine-2-carboxamide is O=C(NC(c1ccccc1)c1ccncc1)c1ccccn1.
What is the InChIKey of N-[phenyl(pyridin-4-yl)methyl]pyridine-2-carboxamide?
The InChIKey is ZFEXEYJPDXPEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c22-18(16-8-4-5-11-20-16)21-17(14-6-2-1-3-7-14)15-9-12-19-13-10-15/h1-13,17H,(H,21,22).
What are the key properties of N-[phenyl(pyridin-4-yl)methyl]pyridine-2-carboxamide?
N-[phenyl(pyridin-4-yl)methyl]pyridine-2-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(pyridin-4-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 47007723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).