N-cyclopropyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide

C20H16F3N3O2 — CID 99440805

IUPACN-cyclopropyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(c1cnc2ccccn2c1=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)14-6-4-13(5-7-14)12-26(15-8-9-15)19(28)16-11-24-17-3-1-2-10-25(17)18(16)27/h1-7,10-11,15H,8-9,12H2
InChIKeyJDCOBVXTURKLFI-UHFFFAOYSA-N
MW387.36 g/mol
LogP3.52
Rot. Bonds4

About N-cyclopropyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide

N-cyclopropyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 99440805) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is N-cyclopropyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID99440805
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC NameN-cyclopropyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(c1cnc2ccccn2c1=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)14-6-4-13(5-7-14)12-26(15-8-9-15)19(28)16-11-24-17-3-1-2-10-25(17)18(16)27/h1-7,10-11,15H,8-9,12H2
InChIKeyJDCOBVXTURKLFI-UHFFFAOYSA-N
XLogP3.52
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[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-cyclopropyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 99440786
N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24627026
N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94809213
N-[(4-bromophenyl)methyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 99176967
3-[(4aR,8aS)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 45190083
N-cyclopropyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 25352952
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94018219
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94018218
N-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 78851238
3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 141326779
N,N-bis(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 71941067
N-cyclopropyl-1-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
CID 71909108

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide (CID 99440805) is N-cyclopropyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide is O=C(c1cnc2ccccn2c1=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is JDCOBVXTURKLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c21-20(22,23)14-6-4-13(5-7-14)12-26(15-8-9-15)19(28)16-11-24-17-3-1-2-10-25(17)18(16)27/h1-7,10-11,15H,8-9,12H2.
What are the key properties of N-cyclopropyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
N-cyclopropyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 387.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 99440805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).