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

C15H19N3O3 — CID 111447052

IUPACN-(4-hydroxy-2-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(O)CC(C)CNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H19N3O3/c1-10(7-11(2)19)8-17-14(20)12-9-16-13-5-3-4-6-18(13)15(12)21/h3-6,9-11,19H,7-8H2,1-2H3,(H,17,20)
InChIKeyCZQGWCMDQYDXJJ-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.83
Rot. Bonds5

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

N-(4-hydroxy-2-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 111447052) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID111447052
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-(4-hydroxy-2-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(O)CC(C)CNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H19N3O3/c1-10(7-11(2)19)8-17-14(20)12-9-16-13-5-3-4-6-18(13)15(12)21/h3-6,9-11,19H,7-8H2,1-2H3,(H,17,20)
InChIKeyCZQGWCMDQYDXJJ-UHFFFAOYSA-N
XLogP0.83
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-hydroxy-2-methylpentyl)-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

Related Compounds

4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 24247319
2-hydroxy-N-(3-methylbutyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681034
3-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 175900049
N-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614765
N-(4-hydroxycyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 43394646
N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 43417621
N-(2-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 43418276
3-[4-(Hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 60957389
N-(1-hydroxy-4-methylpentan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 61245333
N-[3-(hydroxymethyl)pentan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 62519774
N-(2-cyclopropyl-2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 63295300
N-(3-hydroxybutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 64458520

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 111447052) is N-(4-hydroxy-2-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(O)CC(C)CNC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(4-hydroxy-2-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is CZQGWCMDQYDXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(7-11(2)19)8-17-14(20)12-9-16-13-5-3-4-6-18(13)15(12)21/h3-6,9-11,19H,7-8H2,1-2H3,(H,17,20).
What are the key properties of N-(4-hydroxy-2-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(4-hydroxy-2-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 111447052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).