N-(cyclohexylmethyl)-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide

C17H20N4O3 — CID 136593211

IUPACN-(cyclohexylmethyl)-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
SMILESO=C(NCC1CCCCC1)c1nc(-c2ccccn2)[nH]c(=O)c1O
InChIInChI=1S/C17H20N4O3/c22-14-13(16(23)19-10-11-6-2-1-3-7-11)20-15(21-17(14)24)12-8-4-5-9-18-12/h4-5,8-9,11,22H,1-3,6-7,10H2,(H,19,23)(H,20,21,24)
InChIKeyWWBXBHLCSFWSOC-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.85
Rot. Bonds4

About N-(cyclohexylmethyl)-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide

N-(cyclohexylmethyl)-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide (PubChem CID 136593211) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
PubChem CID136593211
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-(cyclohexylmethyl)-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
SMILESO=C(NCC1CCCCC1)c1nc(-c2ccccn2)[nH]c(=O)c1O
InChIInChI=1S/C17H20N4O3/c22-14-13(16(23)19-10-11-6-2-1-3-7-11)20-15(21-17(14)24)12-8-4-5-9-18-12/h4-5,8-9,11,22H,1-3,6-7,10H2,(H,19,23)(H,20,21,24)
InChIKeyWWBXBHLCSFWSOC-UHFFFAOYSA-N
XLogP1.85
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[2-(pyridin-2-ylformamido)propan-2-yl]-1,6-dihydropyrimidine-4-carboxamide
CID 54737248
N-[(6-carbamimidoylpyridin-3-yl)methyl]-2-{2-oxo-6-phenyl-3-[(2-phenylethyl)amino]-1,2-dihydropyrazin-1-yl}acetamide
CID 11762589
2-(6-Methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-N-pyridin-2-ylmethyl-acetamide
CID 9842688
N-[(4-fluorophenyl)methyl]-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
CID 44230665
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(pyrazin-2-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54686311
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(2-pyridylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54686316
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-[2-(2-pyridyl)ethyl]-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54686319
9-[ethyl(pyridine-4-carbonyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 54730628
9-[ethyl(pyridine-2-carbonyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 54730638
N-[(4-fluorophenyl)methyl]-5,6-dihydroxy-2-(2-pyridyl)pyrimidine-4-carboxamide
CID 135446352
(R)-N-(1-cyclohexylethyl)-5,6-dihydroxy-2-(4-methylpyridin-2-yl)pyrimidine-4-carboxamide
CID 137296997
(R)-N-(1-cyclohexylethyl)-5,6-dihydroxy-2-(isoquinolin-1-yl)pyrimidine-4-carboxamide
CID 137297046

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide (CID 136593211) is N-(cyclohexylmethyl)-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide is O=C(NCC1CCCCC1)c1nc(-c2ccccn2)[nH]c(=O)c1O.
What is the InChIKey of N-(cyclohexylmethyl)-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The InChIKey is WWBXBHLCSFWSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-14-13(16(23)19-10-11-6-2-1-3-7-11)20-15(21-17(14)24)12-8-4-5-9-18-12/h4-5,8-9,11,22H,1-3,6-7,10H2,(H,19,23)(H,20,21,24).
What are the key properties of N-(cyclohexylmethyl)-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
N-(cyclohexylmethyl)-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136593211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).