3-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carbonitrile

C12H14ClN3 — CID 107057709

IUPAC3-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carbonitrile
SMILESCC1CCCC1Nc1nccc(C#N)c1Cl
InChIInChI=1S/C12H14ClN3/c1-8-3-2-4-10(8)16-12-11(13)9(7-14)5-6-15-12/h5-6,8,10H,2-4H2,1H3,(H,15,16)
InChIKeyCKTLDKUDUINOCT-UHFFFAOYSA-N
MW235.72 g/mol
LogP3.21
Rot. Bonds2

About 3-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carbonitrile

3-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carbonitrile (PubChem CID 107057709) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 3-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carbonitrile
PubChem CID107057709
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name3-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carbonitrile
SMILESCC1CCCC1Nc1nccc(C#N)c1Cl
InChIInChI=1S/C12H14ClN3/c1-8-3-2-4-10(8)16-12-11(13)9(7-14)5-6-15-12/h5-6,8,10H,2-4H2,1H3,(H,15,16)
InChIKeyCKTLDKUDUINOCT-UHFFFAOYSA-N
XLogP3.21
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[(2-methoxycyclopentyl)amino]pyridine-4-carbonitrile
CID 107057512
3-amino-2-[(2-methylcycloheptyl)amino]pyridine-4-carbonitrile
CID 82813370
3-chloro-2-(cyclohexylamino)pyridine-4-carbonitrile
CID 107056628
3-chloro-2-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile
CID 107061344
2-chloro-3-methyl-4-[[(1R,2S)-2-methylcyclopentyl]amino]benzonitrile
CID 126752672
2-chloro-3-methyl-4-[[(1R)-2-methylcyclopentyl]amino]benzonitrile
CID 126752630
3-[(2-methylcyclohexyl)amino]pyrazine-2-carbonitrile
CID 62672162
3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile
CID 107056636
3-chloro-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-4-carbonitrile
CID 114119318
2-N-(2-methylcyclopentyl)pyridine-2,3-diamine
CID 63278381
4-[(2-methylcyclopentyl)amino]benzene-1,2-dicarbonitrile
CID 107788162
2-[(2-methylcyclohexyl)amino]pyrimidine-4-carbonitrile
CID 107543459

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carbonitrile (CID 107057709) is 3-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carbonitrile is CC1CCCC1Nc1nccc(C#N)c1Cl.
What is the InChIKey of 3-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carbonitrile?
The InChIKey is CKTLDKUDUINOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-8-3-2-4-10(8)16-12-11(13)9(7-14)5-6-15-12/h5-6,8,10H,2-4H2,1H3,(H,15,16).
What are the key properties of 3-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carbonitrile?
3-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carbonitrile has a molecular weight of 235.72 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 107057709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).