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

C15H19N3O3 — CID 103750798

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

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

N-(1-hydroxy-4-methylpentan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 103750798) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID103750798
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)C(CCO)NC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H19N3O3/c1-10(2)12(6-8-19)17-14(20)11-9-16-13-5-3-4-7-18(13)15(11)21/h3-5,7,9-10,12,19H,6,8H2,1-2H3,(H,17,20)
InChIKeyKOAJJLRPAJLUGZ-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

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Related Compounds

2-hydroxy-N-(1-hydroxybutan-2-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680954
2-hydroxy-N-(1-hydroxybutan-2-yl)-8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680997
2-hydroxy-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681039
2-hydroxy-N-(1-hydroxybutan-2-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681041
6-methyl-N-(oxan-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 126668441
3-[[(3-Hydroxy-3-methylcyclobutyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 175900172
N-(5-methylhexan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 42936055
N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 43417621
N-(1-hydroxybutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 43417935
N-(1-hydroxypropan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 43418615
N-(1-hydroxy-2-methylpropan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 43500687
N-(3-hydroxypropyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 61038580

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 103750798) is N-(1-hydroxy-4-methylpentan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(C)C(CCO)NC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is KOAJJLRPAJLUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(2)12(6-8-19)17-14(20)11-9-16-13-5-3-4-7-18(13)15(11)21/h3-5,7,9-10,12,19H,6,8H2,1-2H3,(H,17,20).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(1-hydroxy-4-methylpentan-3-yl)-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-(1-hydroxy-4-methylpentan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 103750798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).