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

C18H22N4O3 — CID 137297043

IUPACN-(2-cyclohexylethyl)-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
SMILESO=C(NCCC1CCCCC1)c1nc(-c2ccccn2)[nH]c(=O)c1O
InChIInChI=1S/C18H22N4O3/c23-15-14(17(24)20-11-9-12-6-2-1-3-7-12)21-16(22-18(15)25)13-8-4-5-10-19-13/h4-5,8,10,12,23H,1-3,6-7,9,11H2,(H,20,24)(H,21,22,25)
InChIKeyZNBCMFYIFZHDAS-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.24
Rot. Bonds5

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

N-(2-cyclohexylethyl)-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide (PubChem CID 137297043) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
PubChem CID137297043
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(2-cyclohexylethyl)-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
SMILESO=C(NCCC1CCCCC1)c1nc(-c2ccccn2)[nH]c(=O)c1O
InChIInChI=1S/C18H22N4O3/c23-15-14(17(24)20-11-9-12-6-2-1-3-7-12)21-16(22-18(15)25)13-8-4-5-10-19-13/h4-5,8,10,12,23H,1-3,6-7,9,11H2,(H,20,24)(H,21,22,25)
InChIKeyZNBCMFYIFZHDAS-UHFFFAOYSA-N
XLogP2.24
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-(2-cyclohexylethyl)-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide (CID 137297043) is N-(2-cyclohexylethyl)-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-cyclohexylethyl)-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide is O=C(NCCC1CCCCC1)c1nc(-c2ccccn2)[nH]c(=O)c1O.
What is the InChIKey of N-(2-cyclohexylethyl)-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The InChIKey is ZNBCMFYIFZHDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-15-14(17(24)20-11-9-12-6-2-1-3-7-12)21-16(22-18(15)25)13-8-4-5-10-19-13/h4-5,8,10,12,23H,1-3,6-7,9,11H2,(H,20,24)(H,21,22,25).
What are the key properties of N-(2-cyclohexylethyl)-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
N-(2-cyclohexylethyl)-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137297043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).