4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

C20H18N4O2S — CID 108810284

IUPAC4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)C3(C)CC(=O)N=C4C=CC=CN43)cc2)cs1
InChIInChI=1S/C20H18N4O2S/c1-13-21-16(12-27-13)14-6-8-15(9-7-14)22-19(26)20(2)11-18(25)23-17-5-3-4-10-24(17)20/h3-10,12H,11H2,1-2H3,(H,22,26)
InChIKeySTYZFUFPAHOTPW-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.53
Rot. Bonds3

About 4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 108810284) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID108810284
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)C3(C)CC(=O)N=C4C=CC=CN43)cc2)cs1
InChIInChI=1S/C20H18N4O2S/c1-13-21-16(12-27-13)14-6-8-15(9-7-14)22-19(26)20(2)11-18(25)23-17-5-3-4-10-24(17)20/h3-10,12H,11H2,1-2H3,(H,22,26)
InChIKeySTYZFUFPAHOTPW-UHFFFAOYSA-N
XLogP3.53
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of 4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 108810284) is 4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for 4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is Cc1nc(-c2ccc(NC(=O)C3(C)CC(=O)N=C4C=CC=CN43)cc2)cs1.
What is the InChIKey of 4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is STYZFUFPAHOTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-13-21-16(12-27-13)14-6-8-15(9-7-14)22-19(26)20(2)11-18(25)23-17-5-3-4-10-24(17)20/h3-10,12H,11H2,1-2H3,(H,22,26).
What are the key properties of 4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 108810284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).