N-cyclohexyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide

C16H18N4O3 — CID 136593190

IUPACN-cyclohexyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1nc(-c2ccccn2)[nH]c(=O)c1O
InChIInChI=1S/C16H18N4O3/c21-13-12(15(22)18-10-6-2-1-3-7-10)19-14(20-16(13)23)11-8-4-5-9-17-11/h4-5,8-10,21H,1-3,6-7H2,(H,18,22)(H,19,20,23)
InChIKeyOVWYSQQVKIDDLH-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.60
Rot. Bonds3

About N-cyclohexyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide

N-cyclohexyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide (PubChem CID 136593190) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-cyclohexyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
PubChem CID136593190
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC NameN-cyclohexyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1nc(-c2ccccn2)[nH]c(=O)c1O
InChIInChI=1S/C16H18N4O3/c21-13-12(15(22)18-10-6-2-1-3-7-10)19-14(20-16(13)23)11-8-4-5-9-17-11/h4-5,8-10,21H,1-3,6-7H2,(H,18,22)(H,19,20,23)
InChIKeyOVWYSQQVKIDDLH-UHFFFAOYSA-N
XLogP1.60
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide (CID 136593190) is N-cyclohexyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide is O=C(NC1CCCCC1)c1nc(-c2ccccn2)[nH]c(=O)c1O.
What is the InChIKey of N-cyclohexyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The InChIKey is OVWYSQQVKIDDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c21-13-12(15(22)18-10-6-2-1-3-7-10)19-14(20-16(13)23)11-8-4-5-9-17-11/h4-5,8-10,21H,1-3,6-7H2,(H,18,22)(H,19,20,23).
What are the key properties of N-cyclohexyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
N-cyclohexyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136593190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).