9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide

C14H17N3O3 — CID 121384929

IUPAC9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCCNC(=O)c1cnc2c(O)cccn2c1=O
InChIInChI=1S/C14H17N3O3/c1-2-3-4-7-15-13(19)10-9-16-12-11(18)6-5-8-17(12)14(10)20/h5-6,8-9,18H,2-4,7H2,1H3,(H,15,19)
InChIKeyUCFJKEWKFKMHHZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.32
Rot. Bonds5

About 9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide

9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 121384929) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID121384929
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCCNC(=O)c1cnc2c(O)cccn2c1=O
InChIInChI=1S/C14H17N3O3/c1-2-3-4-7-15-13(19)10-9-16-12-11(18)6-5-8-17(12)14(10)20/h5-6,8-9,18H,2-4,7H2,1H3,(H,15,19)
InChIKeyUCFJKEWKFKMHHZ-UHFFFAOYSA-N
XLogP1.32
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9-hydroxy-4-oxo-N-pentylpyrido[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 9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide (CID 121384929) is 9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide is CCCCCNC(=O)c1cnc2c(O)cccn2c1=O.
What is the InChIKey of 9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is UCFJKEWKFKMHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-3-4-7-15-13(19)10-9-16-12-11(18)6-5-8-17(12)14(10)20/h5-6,8-9,18H,2-4,7H2,1H3,(H,15,19).
What are the key properties of 9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide?
9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 121384929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).