N-cyclopropyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C13H13N3O2 — CID 3079283

IUPACN-cyclopropyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)NC3CC3)c(=O)n12
InChIInChI=1S/C13H13N3O2/c1-8-3-2-4-11-14-7-10(13(18)16(8)11)12(17)15-9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H,15,17)
InChIKeyVALITZCLZVJAMH-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.90
Rot. Bonds2

About N-cyclopropyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-cyclopropyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 3079283) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-cyclopropyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID3079283
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-cyclopropyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)NC3CC3)c(=O)n12
InChIInChI=1S/C13H13N3O2/c1-8-3-2-4-11-14-7-10(13(18)16(8)11)12(17)15-9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H,15,17)
InChIKeyVALITZCLZVJAMH-UHFFFAOYSA-N
XLogP0.90
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 9-methyl-4-oxo-N-propyl-
CID 3079293
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-cyclopentyl-9-methyl-4-oxo-
CID 3079303
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N,6-dimethyl-4-oxo-
CID 3079272
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-4-oxo-N-propyl-
CID 3079273
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-N-(1-methylethyl)-4-oxo-
CID 3079274
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-butyl-6-methyl-4-oxo-
CID 3079275
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(1,1-dimethylethyl)-6-methyl-4-oxo-
CID 3079276
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-4-oxo-N-pentyl-
CID 3079277
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(2,2-dimethylpropyl)-6-methyl-4-oxo-
CID 3079278
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-hexyl-6-methyl-4-oxo-
CID 3079279
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-heptyl-6-methyl-4-oxo-
CID 3079280
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-N-octyl-4-oxo-
CID 3079281

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 3079283) is N-cyclopropyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccc2ncc(C(=O)NC3CC3)c(=O)n12.
What is the InChIKey of N-cyclopropyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is VALITZCLZVJAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-3-2-4-11-14-7-10(13(18)16(8)11)12(17)15-9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H,15,17).
What are the key properties of N-cyclopropyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-cyclopropyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3079283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).