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

C15H12N4O4 — CID 42952244

IUPAC9-methyl-2-[(5-nitro-2-oxo-1-pyridinyl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(Cn3cc([N+](=O)[O-])ccc3=O)nc12
InChIInChI=1S/C15H12N4O4/c1-10-3-2-6-18-14(21)7-11(16-15(10)18)8-17-9-12(19(22)23)4-5-13(17)20/h2-7,9H,8H2,1H3
InChIKeySBULFFARXWDOBE-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.12
Rot. Bonds3

About 9-methyl-2-[(5-nitro-2-oxo-1-pyridinyl)methyl]pyrido[1,2-a]pyrimidin-4-one

9-methyl-2-[(5-nitro-2-oxo-1-pyridinyl)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 42952244) has the molecular formula C15H12N4O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is 9-methyl-2-[(5-nitro-2-oxo-1-pyridinyl)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-[(5-nitro-2-oxo-1-pyridinyl)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID42952244
Molecular FormulaC15H12N4O4
Molecular Weight312.29 g/mol
Exact Mass312.09
IUPAC Name9-methyl-2-[(5-nitro-2-oxo-1-pyridinyl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(Cn3cc([N+](=O)[O-])ccc3=O)nc12
InChIInChI=1S/C15H12N4O4/c1-10-3-2-6-18-14(21)7-11(16-15(10)18)8-17-9-12(19(22)23)4-5-13(17)20/h2-7,9H,8H2,1H3
InChIKeySBULFFARXWDOBE-UHFFFAOYSA-N
XLogP1.12
TPSA99.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-[(5-nitro-2-oxo-1-pyridinyl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-[(5-nitro-2-oxo-1-pyridinyl)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 42952244) is 9-methyl-2-[(5-nitro-2-oxo-1-pyridinyl)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-[(5-nitro-2-oxo-1-pyridinyl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-[(5-nitro-2-oxo-1-pyridinyl)methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(Cn3cc([N+](=O)[O-])ccc3=O)nc12.
What is the InChIKey of 9-methyl-2-[(5-nitro-2-oxo-1-pyridinyl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SBULFFARXWDOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4/c1-10-3-2-6-18-14(21)7-11(16-15(10)18)8-17-9-12(19(22)23)4-5-13(17)20/h2-7,9H,8H2,1H3.
What are the key properties of 9-methyl-2-[(5-nitro-2-oxo-1-pyridinyl)methyl]pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-[(5-nitro-2-oxo-1-pyridinyl)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 312.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-[(5-nitro-2-oxo-1-pyridinyl)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 42952244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).