6-(3-anilinopiperidin-1-yl)-3-chloropyridine-2-carbonitrile

C17H17ClN4 — CID 133363190

IUPAC6-(3-anilinopiperidin-1-yl)-3-chloropyridine-2-carbonitrile
SMILESN#Cc1nc(N2CCCC(Nc3ccccc3)C2)ccc1Cl
InChIInChI=1S/C17H17ClN4/c18-15-8-9-17(21-16(15)11-19)22-10-4-7-14(12-22)20-13-5-2-1-3-6-13/h1-3,5-6,8-9,14,20H,4,7,10,12H2
InChIKeyCXPUGWZYRFOGGP-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.69
Rot. Bonds3

About 6-(3-anilinopiperidin-1-yl)-3-chloropyridine-2-carbonitrile

6-(3-anilinopiperidin-1-yl)-3-chloropyridine-2-carbonitrile (PubChem CID 133363190) has the molecular formula C17H17ClN4 and a molecular weight of 312.80 g/mol. Its IUPAC name is 6-(3-anilinopiperidin-1-yl)-3-chloropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(3-anilinopiperidin-1-yl)-3-chloropyridine-2-carbonitrile
PubChem CID133363190
Molecular FormulaC17H17ClN4
Molecular Weight312.80 g/mol
Exact Mass312.11
IUPAC Name6-(3-anilinopiperidin-1-yl)-3-chloropyridine-2-carbonitrile
SMILESN#Cc1nc(N2CCCC(Nc3ccccc3)C2)ccc1Cl
InChIInChI=1S/C17H17ClN4/c18-15-8-9-17(21-16(15)11-19)22-10-4-7-14(12-22)20-13-5-2-1-3-6-13/h1-3,5-6,8-9,14,20H,4,7,10,12H2
InChIKeyCXPUGWZYRFOGGP-UHFFFAOYSA-N
XLogP3.69
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3S)-3-anilinopiperidin-1-yl]pyrazine-2-carbonitrile
CID 97082744
6-(3-anilinopiperidin-1-yl)pyridine-2-carboxylic acid
CID 122054364
(3S)-N-phenyl-1-pyrimidin-2-ylpiperidin-3-amine
CID 97226290
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-chloropyridine-2-carbonitrile
CID 133305732
1-(5-chloro-6-cyano-2-pyridinyl)piperidine-4-carboxylic acid
CID 122047509
3-chloro-6-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile
CID 133323340
3-chloro-6-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carbonitrile
CID 125130905
(3S)-1-(6-morpholin-4-ylpyrimidin-4-yl)-N-phenylpiperidin-3-amine
CID 171084156
3-chloro-6-[(3S)-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 129488765
3-chloro-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 133458797
(3R)-1-[4-(cyclopropylmethoxy)-2-pyridinyl]-N-phenylpiperidin-3-amine
CID 97349084
6-[(3S)-3-anilinopiperidin-1-yl]-N-ethylpyridazine-3-carboxamide
CID 97099971

Frequently Asked Questions

What is the IUPAC name of 6-(3-anilinopiperidin-1-yl)-3-chloropyridine-2-carbonitrile?
The IUPAC name of 6-(3-anilinopiperidin-1-yl)-3-chloropyridine-2-carbonitrile (CID 133363190) is 6-(3-anilinopiperidin-1-yl)-3-chloropyridine-2-carbonitrile.
What is the SMILES notation for 6-(3-anilinopiperidin-1-yl)-3-chloropyridine-2-carbonitrile?
The canonical SMILES for 6-(3-anilinopiperidin-1-yl)-3-chloropyridine-2-carbonitrile is N#Cc1nc(N2CCCC(Nc3ccccc3)C2)ccc1Cl.
What is the InChIKey of 6-(3-anilinopiperidin-1-yl)-3-chloropyridine-2-carbonitrile?
The InChIKey is CXPUGWZYRFOGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4/c18-15-8-9-17(21-16(15)11-19)22-10-4-7-14(12-22)20-13-5-2-1-3-6-13/h1-3,5-6,8-9,14,20H,4,7,10,12H2.
What are the key properties of 6-(3-anilinopiperidin-1-yl)-3-chloropyridine-2-carbonitrile?
6-(3-anilinopiperidin-1-yl)-3-chloropyridine-2-carbonitrile has a molecular weight of 312.80 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-anilinopiperidin-1-yl)-3-chloropyridine-2-carbonitrile is sourced from PubChem (CID 133363190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).