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

C15H19N3O3 — CID 61245333

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

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

N-(1-hydroxy-4-methylpentan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 61245333) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID61245333
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H19N3O3/c1-10(2)7-11(9-19)17-14(20)12-8-16-13-5-3-4-6-18(13)15(12)21/h3-6,8,10-11,19H,7,9H2,1-2H3,(H,17,20)
InChIKeyNPEKUMKSVJIZLF-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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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 61245333) is N-(1-hydroxy-4-methylpentan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(C)CC(CO)NC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is NPEKUMKSVJIZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(2)7-11(9-19)17-14(20)12-8-16-13-5-3-4-6-18(13)15(12)21/h3-6,8,10-11,19H,7,9H2,1-2H3,(H,17,20).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(1-hydroxy-4-methylpentan-2-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-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 61245333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).