6-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-2-oxo-1H-pyridine-3-carbonitrile

C15H12N4O2 — CID 21297217

IUPAC6-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1-c1ccc2[nH]c(=O)n(C)c2c1
InChIInChI=1S/C15H12N4O2/c1-8-11(5-10(7-16)14(20)17-8)9-3-4-12-13(6-9)19(2)15(21)18-12/h3-6H,1-2H3,(H,17,20)(H,18,21)
InChIKeyFRLFQOPBVVPQGQ-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.40
Rot. Bonds1

About 6-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-2-oxo-1H-pyridine-3-carbonitrile

6-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 21297217) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 6-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID21297217
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name6-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1-c1ccc2[nH]c(=O)n(C)c2c1
InChIInChI=1S/C15H12N4O2/c1-8-11(5-10(7-16)14(20)17-8)9-3-4-12-13(6-9)19(2)15(21)18-12/h3-6H,1-2H3,(H,17,20)(H,18,21)
InChIKeyFRLFQOPBVVPQGQ-UHFFFAOYSA-N
XLogP1.40
TPSA94.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-2-oxo-1H-pyridine-3-carbonitrile (CID 21297217) is 6-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-2-oxo-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)cc1-c1ccc2[nH]c(=O)n(C)c2c1.
What is the InChIKey of 6-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is FRLFQOPBVVPQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-8-11(5-10(7-16)14(20)17-8)9-3-4-12-13(6-9)19(2)15(21)18-12/h3-6H,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 6-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-2-oxo-1H-pyridine-3-carbonitrile?
6-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 280.29 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 21297217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).