N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide

C14H11N3O2S — CID 7217021

IUPACN-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide
SMILESCc1nc2ccccn2c(=O)c1NC(=O)c1cccs1
InChIInChI=1S/C14H11N3O2S/c1-9-12(16-13(18)10-5-4-8-20-10)14(19)17-7-3-2-6-11(17)15-9/h2-8H,1H3,(H,16,18)
InChIKeyAPPNMSYILMINBT-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.32
Rot. Bonds2

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

N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide (PubChem CID 7217021) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide
PubChem CID7217021
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC NameN-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide
SMILESCc1nc2ccccn2c(=O)c1NC(=O)c1cccs1
InChIInChI=1S/C14H11N3O2S/c1-9-12(16-13(18)10-5-4-8-20-10)14(19)17-7-3-2-6-11(17)15-9/h2-8H,1H3,(H,16,18)
InChIKeyAPPNMSYILMINBT-UHFFFAOYSA-N
XLogP2.32
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide (CID 7217021) is N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide is Cc1nc2ccccn2c(=O)c1NC(=O)c1cccs1.
What is the InChIKey of N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide?
The InChIKey is APPNMSYILMINBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-9-12(16-13(18)10-5-4-8-20-10)14(19)17-7-3-2-6-11(17)15-9/h2-8H,1H3,(H,16,18).
What are the key properties of N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide?
N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 7217021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).