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

C15H17N3O3 — CID 43394646

IUPACN-(4-hydroxycyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H17N3O3/c19-11-6-4-10(5-7-11)17-14(20)12-9-16-13-3-1-2-8-18(13)15(12)21/h1-3,8-11,19H,4-7H2,(H,17,20)
InChIKeyNKNYVMQDMOERLU-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.73
Rot. Bonds2

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

N-(4-hydroxycyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 43394646) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID43394646
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-(4-hydroxycyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H17N3O3/c19-11-6-4-10(5-7-11)17-14(20)12-9-16-13-3-1-2-8-18(13)15(12)21/h1-3,8-11,19H,4-7H2,(H,17,20)
InChIKeyNKNYVMQDMOERLU-UHFFFAOYSA-N
XLogP0.73
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-hydroxycyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 43394646) is N-(4-hydroxycyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NC1CCC(O)CC1)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(4-hydroxycyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is NKNYVMQDMOERLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-11-6-4-10(5-7-11)17-14(20)12-9-16-13-3-1-2-8-18(13)15(12)21/h1-3,8-11,19H,4-7H2,(H,17,20).
What are the key properties of N-(4-hydroxycyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(4-hydroxycyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 43394646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).