2-(4,4-dimethylazepan-1-yl)pyridine-3-carbonitrile

C14H19N3 — CID 65281203

IUPAC2-(4,4-dimethylazepan-1-yl)pyridine-3-carbonitrile
SMILESCC1(C)CCCN(c2ncccc2C#N)CC1
InChIInChI=1S/C14H19N3/c1-14(2)6-4-9-17(10-7-14)13-12(11-15)5-3-8-16-13/h3,5,8H,4,6-7,9-10H2,1-2H3
InChIKeyHCWIAESHZBTJCZ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.97
Rot. Bonds1

About 2-(4,4-dimethylazepan-1-yl)pyridine-3-carbonitrile

2-(4,4-dimethylazepan-1-yl)pyridine-3-carbonitrile (PubChem CID 65281203) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-(4,4-dimethylazepan-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4,4-dimethylazepan-1-yl)pyridine-3-carbonitrile
PubChem CID65281203
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-(4,4-dimethylazepan-1-yl)pyridine-3-carbonitrile
SMILESCC1(C)CCCN(c2ncccc2C#N)CC1
InChIInChI=1S/C14H19N3/c1-14(2)6-4-9-17(10-7-14)13-12(11-15)5-3-8-16-13/h3,5,8H,4,6-7,9-10H2,1-2H3
InChIKeyHCWIAESHZBTJCZ-UHFFFAOYSA-N
XLogP2.97
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322
2-thiomorpholin-4-ylpyridine-3-carbonitrile
CID 28787469
2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 113235312
2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
CID 163329752
2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pyridine-3-carbonitrile
CID 172891494
4-(4,4-dimethylazepan-1-yl)quinoline-3-carbonitrile
CID 65281204
2-[(5R)-2-(4-methoxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile
CID 58653579
3-bromo-2-(4,4-dimethylpiperidin-1-yl)pyridine
CID 55209852
5-cyano-2-(4,4-dimethylazepan-1-yl)-4-methylpyridine-3-carboxamide
CID 170207571
1-(3-cyano-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid
CID 63126206
2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 95226937
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 131912368

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylazepan-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(4,4-dimethylazepan-1-yl)pyridine-3-carbonitrile (CID 65281203) is 2-(4,4-dimethylazepan-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4,4-dimethylazepan-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(4,4-dimethylazepan-1-yl)pyridine-3-carbonitrile is CC1(C)CCCN(c2ncccc2C#N)CC1.
What is the InChIKey of 2-(4,4-dimethylazepan-1-yl)pyridine-3-carbonitrile?
The InChIKey is HCWIAESHZBTJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-14(2)6-4-9-17(10-7-14)13-12(11-15)5-3-8-16-13/h3,5,8H,4,6-7,9-10H2,1-2H3.
What are the key properties of 2-(4,4-dimethylazepan-1-yl)pyridine-3-carbonitrile?
2-(4,4-dimethylazepan-1-yl)pyridine-3-carbonitrile has a molecular weight of 229.33 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylazepan-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 65281203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).