1-[(2-cyano-4-pyridinyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile

C14H10N4O — CID 107072766

IUPAC1-[(2-cyano-4-pyridinyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(=O)n1Cc1ccnc(C#N)c1
InChIInChI=1S/C14H10N4O/c1-10-2-3-12(7-15)14(19)18(10)9-11-4-5-17-13(6-11)8-16/h2-6H,9H2,1H3
InChIKeyIHNUFZBZXFOVDY-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.34
Rot. Bonds2

About 1-[(2-cyano-4-pyridinyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile

1-[(2-cyano-4-pyridinyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 107072766) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-[(2-cyano-4-pyridinyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(2-cyano-4-pyridinyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
PubChem CID107072766
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name1-[(2-cyano-4-pyridinyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(=O)n1Cc1ccnc(C#N)c1
InChIInChI=1S/C14H10N4O/c1-10-2-3-12(7-15)14(19)18(10)9-11-4-5-17-13(6-11)8-16/h2-6H,9H2,1H3
InChIKeyIHNUFZBZXFOVDY-UHFFFAOYSA-N
XLogP1.34
TPSA82.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyano-4-pyridinyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(2-cyano-4-pyridinyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile (CID 107072766) is 1-[(2-cyano-4-pyridinyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(2-cyano-4-pyridinyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(2-cyano-4-pyridinyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile is Cc1ccc(C#N)c(=O)n1Cc1ccnc(C#N)c1.
What is the InChIKey of 1-[(2-cyano-4-pyridinyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is IHNUFZBZXFOVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c1-10-2-3-12(7-15)14(19)18(10)9-11-4-5-17-13(6-11)8-16/h2-6H,9H2,1H3.
What are the key properties of 1-[(2-cyano-4-pyridinyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile?
1-[(2-cyano-4-pyridinyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 250.26 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyano-4-pyridinyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 107072766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).