3-chloro-6-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile

C16H19ClN4O — CID 133366780

IUPAC3-chloro-6-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1nc(NC2CCN(C(=O)C3CCCC3)C2)ccc1Cl
InChIInChI=1S/C16H19ClN4O/c17-13-5-6-15(20-14(13)9-18)19-12-7-8-21(10-12)16(22)11-3-1-2-4-11/h5-6,11-12H,1-4,7-8,10H2,(H,19,20)
InChIKeyOJQLLLTUYCYKNR-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.81
Rot. Bonds3

About 3-chloro-6-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile

3-chloro-6-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile (PubChem CID 133366780) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 3-chloro-6-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile
PubChem CID133366780
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name3-chloro-6-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1nc(NC2CCN(C(=O)C3CCCC3)C2)ccc1Cl
InChIInChI=1S/C16H19ClN4O/c17-13-5-6-15(20-14(13)9-18)19-12-7-8-21(10-12)16(22)11-3-1-2-4-11/h5-6,11-12H,1-4,7-8,10H2,(H,19,20)
InChIKeyOJQLLLTUYCYKNR-UHFFFAOYSA-N
XLogP2.81
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]pyridazine-3-carbonitrile
CID 133420304
[3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133367003
3-chloro-6-[[(1S,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carbonitrile
CID 133495324
[3-[(8-bromoquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133366766
cyclopentyl-[3-[(6-nitroquinolin-2-yl)amino]pyrrolidin-1-yl]methanone
CID 133366889
[3-[(6-bromo-7-fluoroquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133366907
cyclopentyl-[3-(2,6-dichloro-4-nitroanilino)pyrrolidin-1-yl]methanone
CID 133492676
cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone
CID 175863488
6-[(1-benzylsulfonylpiperidin-4-yl)amino]-3-chloropyridine-2-carbonitrile
CID 133306602
cyclopentyl-[3-[(6-ethoxypyrazin-2-yl)amino]pyrrolidin-1-yl]methanone
CID 133375004
(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
CID 175114110
3,4-dichloro-N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide
CID 110866994

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile (CID 133366780) is 3-chloro-6-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile is N#Cc1nc(NC2CCN(C(=O)C3CCCC3)C2)ccc1Cl.
What is the InChIKey of 3-chloro-6-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile?
The InChIKey is OJQLLLTUYCYKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c17-13-5-6-15(20-14(13)9-18)19-12-7-8-21(10-12)16(22)11-3-1-2-4-11/h5-6,11-12H,1-4,7-8,10H2,(H,19,20).
What are the key properties of 3-chloro-6-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile?
3-chloro-6-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile has a molecular weight of 318.81 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 133366780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).