N-(3-hydroxypropyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide

C15H19N3O3 — CID 61038580

IUPACN-(3-hydroxypropyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)N(CCCO)C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H19N3O3/c1-11(2)17(8-5-9-19)14(20)12-10-16-13-6-3-4-7-18(13)15(12)21/h3-4,6-7,10-11,19H,5,8-9H2,1-2H3
InChIKeyQPNYBONNESAXIU-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.93
Rot. Bonds5

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

N-(3-hydroxypropyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 61038580) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID61038580
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-(3-hydroxypropyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)N(CCCO)C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H19N3O3/c1-11(2)17(8-5-9-19)14(20)12-10-16-13-6-3-4-7-18(13)15(12)21/h3-4,6-7,10-11,19H,5,8-9H2,1-2H3
InChIKeyQPNYBONNESAXIU-UHFFFAOYSA-N
XLogP0.93
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Isopropyl(methyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 818165
N-(2,2-difluoro-3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 104858093
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 107482606
2-hydroxy-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681039
2-hydroxy-N-(1-hydroxybutan-2-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681041
5-(3-Hydroxypropyl)-14-methyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
CID 13902255
N,N-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 21615450
3-(Hydroxymethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 58357422
3-(Hydroxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 58357534
1-Ethyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-1-ium-3-carbaldehyde
CID 169094543
2-Hydroxy-4-oxo-1-propylpyrido[1,2-a]pyrimidin-1-ium-3-carbaldehyde
CID 169094546
4-Oxo-1-propylpyrido[1,2-a]pyrimidin-1-ium-3-carbaldehyde
CID 172739780

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide (CID 61038580) is N-(3-hydroxypropyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide is CC(C)N(CCCO)C(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(3-hydroxypropyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is QPNYBONNESAXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11(2)17(8-5-9-19)14(20)12-10-16-13-6-3-4-7-18(13)15(12)21/h3-4,6-7,10-11,19H,5,8-9H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide?
N-(3-hydroxypropyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 61038580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).