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

C15H19N3O3 — CID 103770787

IUPACN-(2-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)CC(O)CNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H19N3O3/c1-10(2)7-11(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)
InChIKeyKYBTYRHOEXJUKY-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.83
Rot. Bonds5

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

N-(2-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 103770787) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID103770787
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-(2-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)CC(O)CNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H19N3O3/c1-10(2)7-11(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)
InChIKeyKYBTYRHOEXJUKY-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-[(2S)-2-hydroxypropyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136814052
4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 103723227
N-(3,3-difluoro-2-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 103769671
2-hydroxy-N-(2-hydroxypropyl)-8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680996
2-hydroxy-N-(2-hydroxypropyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681040
2-hydroxy-N-(1-hydroxybutan-2-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681041
9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 121384929
N-hexyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 121385060
3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methoxypyrido[1,2-a]pyrimidin-4-one
CID 168723141
3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 168723376
3-[(2-Hydroxyethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 175899579
3-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 175900049

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 103770787) is N-(2-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(C)CC(O)CNC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is KYBTYRHOEXJUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(2)7-11(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-(2-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(2-hydroxy-4-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-(2-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 103770787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).