N-cyclopropyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide

C18H17N3O2S — CID 134004606

IUPACN-cyclopropyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)N(Cc3cccs3)C3CC3)c(=O)n2c1
InChIInChI=1S/C18H17N3O2S/c1-12-4-7-16-19-9-15(18(23)21(16)10-12)17(22)20(13-5-6-13)11-14-3-2-8-24-14/h2-4,7-10,13H,5-6,11H2,1H3
InChIKeyLYSJTEHYEOUIMF-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.87
Rot. Bonds4

About N-cyclopropyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide

N-cyclopropyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 134004606) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-cyclopropyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID134004606
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-cyclopropyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)N(Cc3cccs3)C3CC3)c(=O)n2c1
InChIInChI=1S/C18H17N3O2S/c1-12-4-7-16-19-9-15(18(23)21(16)10-12)17(22)20(13-5-6-13)11-14-3-2-8-24-14/h2-4,7-10,13H,5-6,11H2,1H3
InChIKeyLYSJTEHYEOUIMF-UHFFFAOYSA-N
XLogP2.87
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 61107609
N-ethyl-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 134063418
N-cyclopropyl-3-hydroxy-2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 82795082
N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide
CID 134004531
N-cyclopropyl-1-methyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 47074872
N-cyclopropyl-3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 115645728
N-cyclopropyl-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 75461213
7-methyl-N-[2-(methylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119500073
N-cyclopropyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 99440805
N-cyclopropyl-5-(methylamino)-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
CID 107375295
N-cyclopropyl-4-methyl-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)benzamide
CID 37484000
3-(3-aminopiperidine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 119377302

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide (CID 134004606) is N-cyclopropyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccc2ncc(C(=O)N(Cc3cccs3)C3CC3)c(=O)n2c1.
What is the InChIKey of N-cyclopropyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is LYSJTEHYEOUIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-4-7-16-19-9-15(18(23)21(16)10-12)17(22)20(13-5-6-13)11-14-3-2-8-24-14/h2-4,7-10,13H,5-6,11H2,1H3.
What are the key properties of N-cyclopropyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
N-cyclopropyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134004606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).