2-hydroxy-N-(1-hydroxybutan-2-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C14H17N3O4 — CID 135680997

IUPAC2-hydroxy-N-(1-hydroxybutan-2-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCC(CO)NC(=O)c1c(O)nc2cc(C)ccn2c1=O
InChIInChI=1S/C14H17N3O4/c1-3-9(7-18)15-12(19)11-13(20)16-10-6-8(2)4-5-17(10)14(11)21/h4-6,9,18,20H,3,7H2,1-2H3,(H,15,19)
InChIKeyBOJPQPRNNFKUQH-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.21
Rot. Bonds4

About 2-hydroxy-N-(1-hydroxybutan-2-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

2-hydroxy-N-(1-hydroxybutan-2-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135680997) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-hydroxy-N-(1-hydroxybutan-2-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-(1-hydroxybutan-2-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135680997
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-hydroxy-N-(1-hydroxybutan-2-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCC(CO)NC(=O)c1c(O)nc2cc(C)ccn2c1=O
InChIInChI=1S/C14H17N3O4/c1-3-9(7-18)15-12(19)11-13(20)16-10-6-8(2)4-5-17(10)14(11)21/h4-6,9,18,20H,3,7H2,1-2H3,(H,15,19)
InChIKeyBOJPQPRNNFKUQH-UHFFFAOYSA-N
XLogP0.21
TPSA103.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-hydroxy-N-(1-hydroxybutan-2-yl)-8-methyl-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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(1-hydroxybutan-2-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-N-(1-hydroxybutan-2-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135680997) is 2-hydroxy-N-(1-hydroxybutan-2-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-N-(1-hydroxybutan-2-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-N-(1-hydroxybutan-2-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCC(CO)NC(=O)c1c(O)nc2cc(C)ccn2c1=O.
What is the InChIKey of 2-hydroxy-N-(1-hydroxybutan-2-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is BOJPQPRNNFKUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-3-9(7-18)15-12(19)11-13(20)16-10-6-8(2)4-5-17(10)14(11)21/h4-6,9,18,20H,3,7H2,1-2H3,(H,15,19).
What are the key properties of 2-hydroxy-N-(1-hydroxybutan-2-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-N-(1-hydroxybutan-2-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(1-hydroxybutan-2-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135680997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).