2-(3-cyano-5-methyl-6-phenyl-2-pyridinyl)propanedinitrile

C16H10N4 — CID 100935216

IUPAC2-(3-cyano-5-methyl-6-phenyl-2-pyridinyl)propanedinitrile
SMILESCc1cc(C#N)c(C(C#N)C#N)nc1-c1ccccc1
InChIInChI=1S/C16H10N4/c1-11-7-13(8-17)16(14(9-18)10-19)20-15(11)12-5-3-2-4-6-12/h2-7,14H,1H3
InChIKeyKFKUEIHFJPKPPY-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.06
Rot. Bonds2

About 2-(3-cyano-5-methyl-6-phenyl-2-pyridinyl)propanedinitrile

2-(3-cyano-5-methyl-6-phenyl-2-pyridinyl)propanedinitrile (PubChem CID 100935216) has the molecular formula C16H10N4 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(3-cyano-5-methyl-6-phenyl-2-pyridinyl)propanedinitrile.

Molecular Properties

Compound Name2-(3-cyano-5-methyl-6-phenyl-2-pyridinyl)propanedinitrile
PubChem CID100935216
Molecular FormulaC16H10N4
Molecular Weight258.28 g/mol
Exact Mass258.09
IUPAC Name2-(3-cyano-5-methyl-6-phenyl-2-pyridinyl)propanedinitrile
SMILESCc1cc(C#N)c(C(C#N)C#N)nc1-c1ccccc1
InChIInChI=1S/C16H10N4/c1-11-7-13(8-17)16(14(9-18)10-19)20-15(11)12-5-3-2-4-6-12/h2-7,14H,1H3
InChIKeyKFKUEIHFJPKPPY-UHFFFAOYSA-N
XLogP3.06
TPSA84.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-6-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile
CID 82122645
5-chloro-4-methyl-6-phenylpyridine-3-carbonitrile
CID 69057731
iridium;3-methyl-2-phenylquinoline
CID 174474394
2-(difluoromethyl)-5,6-dimethylpyridine-3-carbonitrile
CID 130101068
6-amino-2-phenylpyridine-3-carbonitrile
CID 121007722
2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 82122216
2-(4-methylphenyl)-5-phenyl-1H-pyrrole-3-carbonitrile
CID 154709543
2-chloro-6-methyl-5-phenylpyridine-3-carbonitrile
CID 1476365
3,5,6-triphenylpyrazine-2-carbonitrile
CID 134914114
2,4-dimethyl-6-(5-methyl-6-phenyl-2-pyridinyl)-1,3,5-triazine
CID 14580781
2-(3,5-dimethyl-6-phenyl-2-pyridinyl)phenol
CID 140883622
[6-(4-cyanophenyl)-5-methyl-2-phenyl-3-pyridinyl] carbamate
CID 175005672

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-5-methyl-6-phenyl-2-pyridinyl)propanedinitrile?
The IUPAC name of 2-(3-cyano-5-methyl-6-phenyl-2-pyridinyl)propanedinitrile (CID 100935216) is 2-(3-cyano-5-methyl-6-phenyl-2-pyridinyl)propanedinitrile.
What is the SMILES notation for 2-(3-cyano-5-methyl-6-phenyl-2-pyridinyl)propanedinitrile?
The canonical SMILES for 2-(3-cyano-5-methyl-6-phenyl-2-pyridinyl)propanedinitrile is Cc1cc(C#N)c(C(C#N)C#N)nc1-c1ccccc1.
What is the InChIKey of 2-(3-cyano-5-methyl-6-phenyl-2-pyridinyl)propanedinitrile?
The InChIKey is KFKUEIHFJPKPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4/c1-11-7-13(8-17)16(14(9-18)10-19)20-15(11)12-5-3-2-4-6-12/h2-7,14H,1H3.
What are the key properties of 2-(3-cyano-5-methyl-6-phenyl-2-pyridinyl)propanedinitrile?
2-(3-cyano-5-methyl-6-phenyl-2-pyridinyl)propanedinitrile has a molecular weight of 258.28 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-5-methyl-6-phenyl-2-pyridinyl)propanedinitrile is sourced from PubChem (CID 100935216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).