2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyridine-3-carboxamide

C17H14N4O2 — CID 122261802

IUPAC2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCc1cc(-c2ccccc2)ncn1)c1ccc[nH]c1=O
InChIInChI=1S/C17H14N4O2/c22-16-14(7-4-8-18-16)17(23)19-10-13-9-15(21-11-20-13)12-5-2-1-3-6-12/h1-9,11H,10H2,(H,18,22)(H,19,23)
InChIKeyXOHHGDPFMSHORB-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.76
Rot. Bonds4

About 2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyridine-3-carboxamide

2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyridine-3-carboxamide (PubChem CID 122261802) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyridine-3-carboxamide
PubChem CID122261802
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCc1cc(-c2ccccc2)ncn1)c1ccc[nH]c1=O
InChIInChI=1S/C17H14N4O2/c22-16-14(7-4-8-18-16)17(23)19-10-13-9-15(21-11-20-13)12-5-2-1-3-6-12/h1-9,11H,10H2,(H,18,22)(H,19,23)
InChIKeyXOHHGDPFMSHORB-UHFFFAOYSA-N
XLogP1.76
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzoyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261778
2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324147
3,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261935
2,6-difluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261961
2,4-dioxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyrimidine-6-carboxamide
CID 122262021
2-bromo-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262955
N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
CID 122261812
2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]chromene-3-carboxamide
CID 122261785
2-chloro-5-nitro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261794
N-[(6-phenylpyrimidin-4-yl)methyl]cyclopentanecarboxamide
CID 122261740
4-oxo-4-phenyl-N-[(6-phenylpyrimidin-4-yl)methyl]butanamide
CID 122261913
2-(2,4-difluorophenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122262058

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyridine-3-carboxamide (CID 122261802) is 2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyridine-3-carboxamide is O=C(NCc1cc(-c2ccccc2)ncn1)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyridine-3-carboxamide?
The InChIKey is XOHHGDPFMSHORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c22-16-14(7-4-8-18-16)17(23)19-10-13-9-15(21-11-20-13)12-5-2-1-3-6-12/h1-9,11H,10H2,(H,18,22)(H,19,23).
What are the key properties of 2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyridine-3-carboxamide?
2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyridine-3-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 122261802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).