2-(4-methylazepan-1-yl)pyridine-3-carbonitrile

C13H17N3 — CID 55210322

IUPAC2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
SMILESCC1CCCN(c2ncccc2C#N)CC1
InChIInChI=1S/C13H17N3/c1-11-4-3-8-16(9-6-11)13-12(10-14)5-2-7-15-13/h2,5,7,11H,3-4,6,8-9H2,1H3
InChIKeyKDOGYCJNIXQYCN-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.58
Rot. Bonds1

About 2-(4-methylazepan-1-yl)pyridine-3-carbonitrile

2-(4-methylazepan-1-yl)pyridine-3-carbonitrile (PubChem CID 55210322) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(4-methylazepan-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
PubChem CID55210322
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
SMILESCC1CCCN(c2ncccc2C#N)CC1
InChIInChI=1S/C13H17N3/c1-11-4-3-8-16(9-6-11)13-12(10-14)5-2-7-15-13/h2,5,7,11H,3-4,6,8-9H2,1H3
InChIKeyKDOGYCJNIXQYCN-UHFFFAOYSA-N
XLogP2.58
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
CID 163329752
2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 113235312
2-(4,4-dimethylazepan-1-yl)pyridine-3-carbonitrile
CID 65281203
2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile
CID 117045417
2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 58826334
3-(4-methylazepan-1-yl)pyridine-4-carbonitrile
CID 114287585
1-[2-(4-methylazepan-1-yl)-3-pyridinyl]ethanamine
CID 114056181
2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 171328145
2-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]pyridine-3-carbonitrile
CID 129337104
2-thiomorpholin-4-ylpyridine-3-carbonitrile
CID 28787469
2-(4-benzyl-5-methyl-1,4-diazepan-1-yl)pyridine-3-carbonitrile
CID 133332499
2-(4-methylpiperidin-1-yl)benzonitrile
CID 14931104

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylazepan-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(4-methylazepan-1-yl)pyridine-3-carbonitrile (CID 55210322) is 2-(4-methylazepan-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-methylazepan-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-methylazepan-1-yl)pyridine-3-carbonitrile is CC1CCCN(c2ncccc2C#N)CC1.
What is the InChIKey of 2-(4-methylazepan-1-yl)pyridine-3-carbonitrile?
The InChIKey is KDOGYCJNIXQYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-11-4-3-8-16(9-6-11)13-12(10-14)5-2-7-15-13/h2,5,7,11H,3-4,6,8-9H2,1H3.
What are the key properties of 2-(4-methylazepan-1-yl)pyridine-3-carbonitrile?
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylazepan-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 55210322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).