N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide

C15H13N3O2S — CID 18566187

IUPACN-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide
SMILESCc1ccn2c(=O)c(NC(=O)c3cccs3)c(C)nc2c1
InChIInChI=1S/C15H13N3O2S/c1-9-5-6-18-12(8-9)16-10(2)13(15(18)20)17-14(19)11-4-3-7-21-11/h3-8H,1-2H3,(H,17,19)
InChIKeyPYHOPZWBOMTVKG-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.63
Rot. Bonds2

About N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide

N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide (PubChem CID 18566187) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide
PubChem CID18566187
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide
SMILESCc1ccn2c(=O)c(NC(=O)c3cccs3)c(C)nc2c1
InChIInChI=1S/C15H13N3O2S/c1-9-5-6-18-12(8-9)16-10(2)13(15(18)20)17-14(19)11-4-3-7-21-11/h3-8H,1-2H3,(H,17,19)
InChIKeyPYHOPZWBOMTVKG-UHFFFAOYSA-N
XLogP2.63
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide (CID 18566187) is N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide is Cc1ccn2c(=O)c(NC(=O)c3cccs3)c(C)nc2c1.
What is the InChIKey of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide?
The InChIKey is PYHOPZWBOMTVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9-5-6-18-12(8-9)16-10(2)13(15(18)20)17-14(19)11-4-3-7-21-11/h3-8H,1-2H3,(H,17,19).
What are the key properties of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide?
N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 18566187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).