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

C14H17N3O3 — CID 64556962

IUPACN-(1-hydroxy-2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCC(C)(CO)NC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H17N3O3/c1-3-14(2,9-18)16-12(19)10-8-15-11-6-4-5-7-17(11)13(10)20/h4-8,18H,3,9H2,1-2H3,(H,16,19)
InChIKeySUPDBPXWBUUXQF-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.59
Rot. Bonds4

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

N-(1-hydroxy-2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 64556962) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID64556962
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCC(C)(CO)NC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H17N3O3/c1-3-14(2,9-18)16-12(19)10-8-15-11-6-4-5-7-17(11)13(10)20/h4-8,18H,3,9H2,1-2H3,(H,16,19)
InChIKeySUPDBPXWBUUXQF-UHFFFAOYSA-N
XLogP0.59
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-hydroxy-2-methylbutan-2-yl)-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

4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(1,1-dimethylpropyl)-6-methyl-4-oxo-
CID 3079282
2-hydroxy-N-(2-hydroxyethyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681038
2-hydroxy-N-(2-hydroxyethyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680951
2-hydroxy-N-(2-hydroxyethyl)-8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680994
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-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681035
2-hydroxy-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681039
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
2-Hydroxy-N-(1-methoxypropan-2-YL)-4-oxo-4H-pyrido[1,2-A]pyrimidine-3-carboxamide
CID 135681042
2-(2-Hydroxyethylamino)-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 57897781

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 64556962) is N-(1-hydroxy-2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCC(C)(CO)NC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is SUPDBPXWBUUXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-14(2,9-18)16-12(19)10-8-15-11-6-4-5-7-17(11)13(10)20/h4-8,18H,3,9H2,1-2H3,(H,16,19).
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(1-hydroxy-2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 64556962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).