6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile

C12H9N3O — CID 4197

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IUPAC6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1-c1ccncc1
InChIInChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
InChIKeyPZRHRDRVRGEVNW-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.62
Rot. Bonds1

About 6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile

6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile (PubChem CID 4197) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
PubChem CID4197
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1-c1ccncc1
InChIInChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
InChIKeyPZRHRDRVRGEVNW-UHFFFAOYSA-N
XLogP1.62
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3698
Isonicotinamide
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4-Hydroxy-6-phenyl-2-(3-pyridinyl)-5-pyrimidinecarbonitrile
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N,N-Diethylisonicotinamide
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Milrinone Lactate
CID 172293
N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 653424
2-Ethylisonicotinamide
CID 76905
Medorinone
CID 5362132
Pelrinone
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N'-(1-cyano-1-methylethyl)isonicotinohydrazide
CID 468618

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile (CID 4197) is 6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1.
What is the InChIKey of 6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile?
The InChIKey is PZRHRDRVRGEVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16).
What are the key properties of 6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile?
6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile has a molecular weight of 211.22 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 4197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).