1-(5-chloro-2-pyridinyl)-4-[3-(methylamino)pyrrolidin-1-yl]cyclohexane-1-carbonitrile

C17H23ClN4 — CID 166729909

IUPAC1-(5-chloro-2-pyridinyl)-4-[3-(methylamino)pyrrolidin-1-yl]cyclohexane-1-carbonitrile
SMILESCNC1CCN(C2CCC(C#N)(c3ccc(Cl)cn3)CC2)C1
InChIInChI=1S/C17H23ClN4/c1-20-14-6-9-22(11-14)15-4-7-17(12-19,8-5-15)16-3-2-13(18)10-21-16/h2-3,10,14-15,20H,4-9,11H2,1H3
InChIKeyXUHFZCKYXYGDHE-UHFFFAOYSA-N
MW318.85 g/mol
LogP2.73
Rot. Bonds3

About 1-(5-chloro-2-pyridinyl)-4-[3-(methylamino)pyrrolidin-1-yl]cyclohexane-1-carbonitrile

1-(5-chloro-2-pyridinyl)-4-[3-(methylamino)pyrrolidin-1-yl]cyclohexane-1-carbonitrile (PubChem CID 166729909) has the molecular formula C17H23ClN4 and a molecular weight of 318.85 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-4-[3-(methylamino)pyrrolidin-1-yl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-4-[3-(methylamino)pyrrolidin-1-yl]cyclohexane-1-carbonitrile
PubChem CID166729909
Molecular FormulaC17H23ClN4
Molecular Weight318.85 g/mol
Exact Mass318.16
IUPAC Name1-(5-chloro-2-pyridinyl)-4-[3-(methylamino)pyrrolidin-1-yl]cyclohexane-1-carbonitrile
SMILESCNC1CCN(C2CCC(C#N)(c3ccc(Cl)cn3)CC2)C1
InChIInChI=1S/C17H23ClN4/c1-20-14-6-9-22(11-14)15-4-7-17(12-19,8-5-15)16-3-2-13(18)10-21-16/h2-3,10,14-15,20H,4-9,11H2,1H3
InChIKeyXUHFZCKYXYGDHE-UHFFFAOYSA-N
XLogP2.73
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-pyridinyl)cyclopentane-1-carbonitrile
CID 130544132
1-(4,4-dimethylcycloheptyl)-N-methylpyrrolidin-3-amine
CID 115300022
4-[4-cyano-4-(5-fluoro-2-pyridinyl)cyclohexyl]-2-ethyl-1,4-diazepane-1-carboxylic acid
CID 166721069
4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexane-1-carbonitrile
CID 59030646
1-(5-methyl-2-pyridinyl)cyclopropane-1-carbonitrile
CID 88978827
ethyl 4-[4-cyano-4-(5-methoxy-2-pyridinyl)cyclohexyl]-1,4-diazepane-1-carboxylate
CID 134431854
1-cycloheptyl-N-methylpyrrolidin-3-amine
CID 43315596
4-methyl-4'-[3-(methylamino)pyrrolidin-1-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one
CID 166730181
N'-(5-chloro-2-pyridinyl)-N-(1-cyclopropylpiperidin-4-yl)oxamide
CID 142691779
4-[3-(2-bromopropan-2-yl)pyrrolidin-1-yl]-1-phenylcyclohexane-1-carbonitrile
CID 20668538
1-(5-amino-2-pyridinyl)cyclobutane-1-carbonitrile
CID 138544174
1-(5-chloro-2-pyridinyl)-N-methylazetidin-3-amine
CID 135136650

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-4-[3-(methylamino)pyrrolidin-1-yl]cyclohexane-1-carbonitrile?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-4-[3-(methylamino)pyrrolidin-1-yl]cyclohexane-1-carbonitrile (CID 166729909) is 1-(5-chloro-2-pyridinyl)-4-[3-(methylamino)pyrrolidin-1-yl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-4-[3-(methylamino)pyrrolidin-1-yl]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-4-[3-(methylamino)pyrrolidin-1-yl]cyclohexane-1-carbonitrile is CNC1CCN(C2CCC(C#N)(c3ccc(Cl)cn3)CC2)C1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-4-[3-(methylamino)pyrrolidin-1-yl]cyclohexane-1-carbonitrile?
The InChIKey is XUHFZCKYXYGDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4/c1-20-14-6-9-22(11-14)15-4-7-17(12-19,8-5-15)16-3-2-13(18)10-21-16/h2-3,10,14-15,20H,4-9,11H2,1H3.
What are the key properties of 1-(5-chloro-2-pyridinyl)-4-[3-(methylamino)pyrrolidin-1-yl]cyclohexane-1-carbonitrile?
1-(5-chloro-2-pyridinyl)-4-[3-(methylamino)pyrrolidin-1-yl]cyclohexane-1-carbonitrile has a molecular weight of 318.85 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-4-[3-(methylamino)pyrrolidin-1-yl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 166729909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).