N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-phenylpropanamide

C17H15N3O2 — CID 44782757

IUPACN-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cnc2ccccn2c1=O
InChIInChI=1S/C17H15N3O2/c21-16(10-9-13-6-2-1-3-7-13)19-14-12-18-15-8-4-5-11-20(15)17(14)22/h1-8,11-12H,9-10H2,(H,19,21)
InChIKeyFWNRUIVADJHTOG-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.27
Rot. Bonds4

About N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-phenylpropanamide

N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-phenylpropanamide (PubChem CID 44782757) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-phenylpropanamide
PubChem CID44782757
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cnc2ccccn2c1=O
InChIInChI=1S/C17H15N3O2/c21-16(10-9-13-6-2-1-3-7-13)19-14-12-18-15-8-4-5-11-20(15)17(14)22/h1-8,11-12H,9-10H2,(H,19,21)
InChIKeyFWNRUIVADJHTOG-UHFFFAOYSA-N
XLogP2.27
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135399285
2-amino-3-methyl-7-(2-phenylethyl)-5H-pteridine-4,6-dione
CID 9120668
2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 135960846
Kinase inhibitor, A2
CID 71463563
4-Oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid phenethyl-amide
CID 750142
4-fluoro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 763006
4-fluoro-N-(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 802655
4-methyl-N-(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 2233906
6-methyl-2-(3-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)propyl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
CID 135960847
4H-Pyrido[1,2-a]pyrimidin-4-one, 2,3-diphenyl-
CID 12235379
3-benzyl-2-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135454301
3,4-dimethyl-N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}benzamide
CID 16030251

Frequently Asked Questions

What is the IUPAC name of N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-phenylpropanamide?
The IUPAC name of N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-phenylpropanamide (CID 44782757) is N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-phenylpropanamide?
The canonical SMILES for N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cnc2ccccn2c1=O.
What is the InChIKey of N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-phenylpropanamide?
The InChIKey is FWNRUIVADJHTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-16(10-9-13-6-2-1-3-7-13)19-14-12-18-15-8-4-5-11-20(15)17(14)22/h1-8,11-12H,9-10H2,(H,19,21).
What are the key properties of N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-phenylpropanamide?
N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-phenylpropanamide has a molecular weight of 293.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 44782757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).