2-hydroxy-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C16H19N3O3 — CID 135853284

IUPAC2-hydroxy-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC1CCCCC1NC(=O)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C16H19N3O3/c1-10-6-2-3-7-11(10)17-14(20)13-15(21)18-12-8-4-5-9-19(12)16(13)22/h4-5,8-11,21H,2-3,6-7H2,1H3,(H,17,20)
InChIKeyCWZJLGNHFFVYBL-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.71
Rot. Bonds2

About 2-hydroxy-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

2-hydroxy-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135853284) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-hydroxy-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135853284
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-hydroxy-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC1CCCCC1NC(=O)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C16H19N3O3/c1-10-6-2-3-7-11(10)17-14(20)13-15(21)18-12-8-4-5-9-19(12)16(13)22/h4-5,8-11,21H,2-3,6-7H2,1H3,(H,17,20)
InChIKeyCWZJLGNHFFVYBL-UHFFFAOYSA-N
XLogP1.71
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135853284) is 2-hydroxy-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC1CCCCC1NC(=O)c1c(O)nc2ccccn2c1=O.
What is the InChIKey of 2-hydroxy-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is CWZJLGNHFFVYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-6-2-3-7-11(10)17-14(20)13-15(21)18-12-8-4-5-9-19(12)16(13)22/h4-5,8-11,21H,2-3,6-7H2,1H3,(H,17,20).
What are the key properties of 2-hydroxy-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135853284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).