2-[(5-methyl-2-pyridinyl)sulfonylmethyl]pyrido[1,2-a]pyrimidin-4-one

C15H13N3O3S — CID 47051838

IUPAC2-[(5-methyl-2-pyridinyl)sulfonylmethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(S(=O)(=O)Cc2cc(=O)n3ccccc3n2)nc1
InChIInChI=1S/C15H13N3O3S/c1-11-5-6-14(16-9-11)22(20,21)10-12-8-15(19)18-7-3-2-4-13(18)17-12/h2-9H,10H2,1H3
InChIKeyJHYLECICBQXXQA-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.37
Rot. Bonds3

About 2-[(5-methyl-2-pyridinyl)sulfonylmethyl]pyrido[1,2-a]pyrimidin-4-one

2-[(5-methyl-2-pyridinyl)sulfonylmethyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 47051838) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-[(5-methyl-2-pyridinyl)sulfonylmethyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(5-methyl-2-pyridinyl)sulfonylmethyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID47051838
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name2-[(5-methyl-2-pyridinyl)sulfonylmethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(S(=O)(=O)Cc2cc(=O)n3ccccc3n2)nc1
InChIInChI=1S/C15H13N3O3S/c1-11-5-6-14(16-9-11)22(20,21)10-12-8-15(19)18-7-3-2-4-13(18)17-12/h2-9H,10H2,1H3
InChIKeyJHYLECICBQXXQA-UHFFFAOYSA-N
XLogP1.37
TPSA81.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-pyridinyl)sulfonylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(5-methyl-2-pyridinyl)sulfonylmethyl]pyrido[1,2-a]pyrimidin-4-one (CID 47051838) is 2-[(5-methyl-2-pyridinyl)sulfonylmethyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(5-methyl-2-pyridinyl)sulfonylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(5-methyl-2-pyridinyl)sulfonylmethyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc(S(=O)(=O)Cc2cc(=O)n3ccccc3n2)nc1.
What is the InChIKey of 2-[(5-methyl-2-pyridinyl)sulfonylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JHYLECICBQXXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-11-5-6-14(16-9-11)22(20,21)10-12-8-15(19)18-7-3-2-4-13(18)17-12/h2-9H,10H2,1H3.
What are the key properties of 2-[(5-methyl-2-pyridinyl)sulfonylmethyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(5-methyl-2-pyridinyl)sulfonylmethyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 315.35 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-pyridinyl)sulfonylmethyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 47051838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).