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

C14H17N3O3 — CID 115771474

IUPACN-ethyl-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCN(CCCO)C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H17N3O3/c1-2-16(7-5-9-18)13(19)11-10-15-12-6-3-4-8-17(12)14(11)20/h3-4,6,8,10,18H,2,5,7,9H2,1H3
InChIKeyGQNQWYCXGRNWNH-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.54
Rot. Bonds5

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

N-ethyl-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 115771474) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID115771474
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-ethyl-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCN(CCCO)C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H17N3O3/c1-2-16(7-5-9-18)13(19)11-10-15-12-6-3-4-8-17(12)14(11)20/h3-4,6,8,10,18H,2,5,7,9H2,1H3
InChIKeyGQNQWYCXGRNWNH-UHFFFAOYSA-N
XLogP0.54
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-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

N-(2-amino-2-oxoethyl)-N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 56795807
N,N-bis(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 71941067
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 107482606
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24676961
N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24627026
N-(3-hydroxybutyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 115673352
1-amino-N-ethyl-N-(3-hydroxypropyl)isoquinoline-4-carboxamide
CID 106772800
butyl 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 113222289
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110
N-[(4-bromophenyl)methyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 99176967
2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115771499
2-[ethyl(3-hydroxypropyl)carbamoyl]benzoic acid
CID 50877579

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-ethyl-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 115771474) is N-ethyl-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCN(CCCO)C(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-ethyl-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is GQNQWYCXGRNWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-16(7-5-9-18)13(19)11-10-15-12-6-3-4-8-17(12)14(11)20/h3-4,6,8,10,18H,2,5,7,9H2,1H3.
What are the key properties of N-ethyl-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-ethyl-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 115771474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).