3-chloro-6-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile

C14H18ClN3 — CID 133323340

IUPAC3-chloro-6-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile
SMILESCC1(C)CCCN(c2ccc(Cl)c(C#N)n2)CC1
InChIInChI=1S/C14H18ClN3/c1-14(2)6-3-8-18(9-7-14)13-5-4-11(15)12(10-16)17-13/h4-5H,3,6-9H2,1-2H3
InChIKeySNKJQPLBRAXEBY-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.62
Rot. Bonds1

About 3-chloro-6-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile

3-chloro-6-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile (PubChem CID 133323340) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 3-chloro-6-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile
PubChem CID133323340
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name3-chloro-6-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile
SMILESCC1(C)CCCN(c2ccc(Cl)c(C#N)n2)CC1
InChIInChI=1S/C14H18ClN3/c1-14(2)6-3-8-18(9-7-14)13-5-4-11(15)12(10-16)17-13/h4-5H,3,6-9H2,1-2H3
InChIKeySNKJQPLBRAXEBY-UHFFFAOYSA-N
XLogP3.62
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carbonitrile
CID 133322524
1-(5-chloro-6-cyano-2-pyridinyl)piperidine-4-carboxylic acid
CID 122047509
3-chloro-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 133458797
3-chloro-6-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pyridine-2-carbonitrile
CID 75373310
3-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-2-carbonitrile
CID 127430193
3-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 133282877
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-chloropyridine-2-carbonitrile
CID 133305732
6-(3-anilinopiperidin-1-yl)-3-chloropyridine-2-carbonitrile
CID 133363190
2-(4,4-dimethylazepan-1-yl)pyridine-3-carbonitrile
CID 65281203
3-chloro-6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]pyridine-2-carbonitrile
CID 56584071
6-[4-(5-aminopyrazolidin-3-yl)piperidin-1-yl]-3-chloropyridine-2-carbonitrile
CID 134068462
methyl 2-[4-(5-chloro-6-cyano-2-pyridinyl)piperazin-1-yl]acetate
CID 133333896

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile (CID 133323340) is 3-chloro-6-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile is CC1(C)CCCN(c2ccc(Cl)c(C#N)n2)CC1.
What is the InChIKey of 3-chloro-6-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile?
The InChIKey is SNKJQPLBRAXEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-14(2)6-3-8-18(9-7-14)13-5-4-11(15)12(10-16)17-13/h4-5H,3,6-9H2,1-2H3.
What are the key properties of 3-chloro-6-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile?
3-chloro-6-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile has a molecular weight of 263.77 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 133323340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).