7-methyl-N-(2-methylsulfanylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H15N3O2S — CID 20878768

IUPAC7-methyl-N-(2-methylsulfanylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCSc1ccccc1NC(=O)c1cnc2ccc(C)cn2c1=O
InChIInChI=1S/C17H15N3O2S/c1-11-7-8-15-18-9-12(17(22)20(15)10-11)16(21)19-13-5-3-4-6-14(13)23-2/h3-10H,1-2H3,(H,19,21)
InChIKeyJIVRDHORTXZHLL-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.98
Rot. Bonds3

About 7-methyl-N-(2-methylsulfanylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

7-methyl-N-(2-methylsulfanylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 20878768) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 7-methyl-N-(2-methylsulfanylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(2-methylsulfanylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID20878768
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name7-methyl-N-(2-methylsulfanylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCSc1ccccc1NC(=O)c1cnc2ccc(C)cn2c1=O
InChIInChI=1S/C17H15N3O2S/c1-11-7-8-15-18-9-12(17(22)20(15)10-11)16(21)19-13-5-3-4-6-14(13)23-2/h3-10H,1-2H3,(H,19,21)
InChIKeyJIVRDHORTXZHLL-UHFFFAOYSA-N
XLogP2.98
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-methylsulfanylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-methyl-N-(2-methylsulfanylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 20878768) is 7-methyl-N-(2-methylsulfanylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-methyl-N-(2-methylsulfanylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-methyl-N-(2-methylsulfanylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CSc1ccccc1NC(=O)c1cnc2ccc(C)cn2c1=O.
What is the InChIKey of 7-methyl-N-(2-methylsulfanylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is JIVRDHORTXZHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-11-7-8-15-18-9-12(17(22)20(15)10-11)16(21)19-13-5-3-4-6-14(13)23-2/h3-10H,1-2H3,(H,19,21).
What are the key properties of 7-methyl-N-(2-methylsulfanylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
7-methyl-N-(2-methylsulfanylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 325.39 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-methylsulfanylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 20878768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).