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

C12H13N3O3 — CID 43417621

IUPACN-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCCCO)c1cnc2ccccn2c1=O
InChIInChI=1S/C12H13N3O3/c16-7-3-5-13-11(17)9-8-14-10-4-1-2-6-15(10)12(9)18/h1-2,4,6,8,16H,3,5,7H2,(H,13,17)
InChIKeyKUUWRVGWEGZRNC-UHFFFAOYSA-N
MW247.25 g/mol
LogP-0.19
Rot. Bonds4

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

N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 43417621) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID43417621
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCCCO)c1cnc2ccccn2c1=O
InChIInChI=1S/C12H13N3O3/c16-7-3-5-13-11(17)9-8-14-10-4-1-2-6-15(10)12(9)18/h1-2,4,6,8,16H,3,5,7H2,(H,13,17)
InChIKeyKUUWRVGWEGZRNC-UHFFFAOYSA-N
XLogP-0.19
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-hydroxypropyl)-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, 9-methyl-4-oxo-N-propyl-
CID 3079293
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N,6-dimethyl-4-oxo-
CID 3079272
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-4-oxo-N-propyl-
CID 3079273
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-N-(1-methylethyl)-4-oxo-
CID 3079274
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-butyl-6-methyl-4-oxo-
CID 3079275
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 4-oxo-N-propyl-
CID 3079290
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 8-methyl-4-oxo-N-propyl-
CID 3079292
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-4-oxo-N-propyl-, monohydrochloride
CID 3079299
4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 24247319
2-Hydroxy-4-oxo-N-(propan-2-YL)-4H-pyrido[1,2-A]pyrimidine-3-carboxamide
CID 135681030
2-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 53015677
2-hydroxy-4-oxo-N-propyl-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681028

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 43417621) is N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCCCO)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is KUUWRVGWEGZRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c16-7-3-5-13-11(17)9-8-14-10-4-1-2-6-15(10)12(9)18/h1-2,4,6,8,16H,3,5,7H2,(H,13,17).
What are the key properties of N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 247.25 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 43417621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).