5-(1-cyano-3-methylpentan-2-yl)pyridine-3-carbonitrile

C13H15N3 — CID 155247391

IUPAC5-(1-cyano-3-methylpentan-2-yl)pyridine-3-carbonitrile
SMILESCCC(C)C(CC#N)c1cncc(C#N)c1
InChIInChI=1S/C13H15N3/c1-3-10(2)13(4-5-14)12-6-11(7-15)8-16-9-12/h6,8-10,13H,3-4H2,1-2H3
InChIKeyFWOGYGNHOCXDSZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.00
Rot. Bonds4

About 5-(1-cyano-3-methylpentan-2-yl)pyridine-3-carbonitrile

5-(1-cyano-3-methylpentan-2-yl)pyridine-3-carbonitrile (PubChem CID 155247391) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-(1-cyano-3-methylpentan-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(1-cyano-3-methylpentan-2-yl)pyridine-3-carbonitrile
PubChem CID155247391
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name5-(1-cyano-3-methylpentan-2-yl)pyridine-3-carbonitrile
SMILESCCC(C)C(CC#N)c1cncc(C#N)c1
InChIInChI=1S/C13H15N3/c1-3-10(2)13(4-5-14)12-6-11(7-15)8-16-9-12/h6,8-10,13H,3-4H2,1-2H3
InChIKeyFWOGYGNHOCXDSZ-UHFFFAOYSA-N
XLogP3.00
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1S)-1-aminopropyl]pyridine-3-carbonitrile
CID 130664792
5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171900618
5-[(1R)-1-aminopentyl]pyridine-3-carbonitrile
CID 55263350
5-[1-amino-3-(4-chlorophenyl)butan-2-yl]pyridine-3-carbonitrile;hydrochloride
CID 69145462
3-(2-bromo-1,3-thiazol-5-yl)-4-methylhexanenitrile
CID 155247382
5-(1-amino-2-oxopropyl)pyridine-3-carbonitrile
CID 55292710
5-(3-chloro-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171861687
1,1-difluoroethane;5-[1-(3-methyl-2-oxopyrrolidin-1-yl)propyl]pyridine-3-carbonitrile
CID 142372443
5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carbonitrile
CID 171880909
3-(5-methyl-3-pyridinyl)-3-methylsulfanylpropanenitrile
CID 126661684
3-[(5-bromo-3-pyridinyl)-methylamino]butanenitrile
CID 104531758
5-(2-methoxyethyl)pyridine-3-carbonitrile
CID 167161685

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyano-3-methylpentan-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-(1-cyano-3-methylpentan-2-yl)pyridine-3-carbonitrile (CID 155247391) is 5-(1-cyano-3-methylpentan-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(1-cyano-3-methylpentan-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(1-cyano-3-methylpentan-2-yl)pyridine-3-carbonitrile is CCC(C)C(CC#N)c1cncc(C#N)c1.
What is the InChIKey of 5-(1-cyano-3-methylpentan-2-yl)pyridine-3-carbonitrile?
The InChIKey is FWOGYGNHOCXDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-3-10(2)13(4-5-14)12-6-11(7-15)8-16-9-12/h6,8-10,13H,3-4H2,1-2H3.
What are the key properties of 5-(1-cyano-3-methylpentan-2-yl)pyridine-3-carbonitrile?
5-(1-cyano-3-methylpentan-2-yl)pyridine-3-carbonitrile has a molecular weight of 213.28 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyano-3-methylpentan-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 155247391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).