3-chloro-2-(cyclohexylamino)pyridine-4-carbonitrile

C12H14ClN3 — CID 107056628

IUPAC3-chloro-2-(cyclohexylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NC2CCCCC2)c1Cl
InChIInChI=1S/C12H14ClN3/c13-11-9(8-14)6-7-15-12(11)16-10-4-2-1-3-5-10/h6-7,10H,1-5H2,(H,15,16)
InChIKeyHJNHBBDONISKEI-UHFFFAOYSA-N
MW235.72 g/mol
LogP3.35
Rot. Bonds2

About 3-chloro-2-(cyclohexylamino)pyridine-4-carbonitrile

3-chloro-2-(cyclohexylamino)pyridine-4-carbonitrile (PubChem CID 107056628) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 3-chloro-2-(cyclohexylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(cyclohexylamino)pyridine-4-carbonitrile
PubChem CID107056628
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name3-chloro-2-(cyclohexylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NC2CCCCC2)c1Cl
InChIInChI=1S/C12H14ClN3/c13-11-9(8-14)6-7-15-12(11)16-10-4-2-1-3-5-10/h6-7,10H,1-5H2,(H,15,16)
InChIKeyHJNHBBDONISKEI-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile
CID 107061344
3-amino-2-(cyclooctylamino)pyridine-4-carbonitrile
CID 82817121
3-amino-2-(cyclopentylamino)pyridine-4-carbonitrile
CID 82817355
3-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carbonitrile
CID 107057709
2-[(2-amino-1-cyclohexylethyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061374
3-chloro-2-[(2-methoxycyclopentyl)amino]pyridine-4-carbonitrile
CID 107057512
3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile
CID 107056636
2-(cyclobutylamino)-3-nitropyridine-4-carbonitrile
CID 80712109
3-(cyclooctylamino)pyrazine-2-carbonitrile
CID 62671623
4-chloro-2-(cyclopropylamino)pyridine-3-carbonitrile
CID 141354272
3-chloro-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-4-carbonitrile
CID 114119318
3-chloro-2-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile
CID 107058127

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(cyclohexylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(cyclohexylamino)pyridine-4-carbonitrile (CID 107056628) is 3-chloro-2-(cyclohexylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(cyclohexylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(cyclohexylamino)pyridine-4-carbonitrile is N#Cc1ccnc(NC2CCCCC2)c1Cl.
What is the InChIKey of 3-chloro-2-(cyclohexylamino)pyridine-4-carbonitrile?
The InChIKey is HJNHBBDONISKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c13-11-9(8-14)6-7-15-12(11)16-10-4-2-1-3-5-10/h6-7,10H,1-5H2,(H,15,16).
What are the key properties of 3-chloro-2-(cyclohexylamino)pyridine-4-carbonitrile?
3-chloro-2-(cyclohexylamino)pyridine-4-carbonitrile has a molecular weight of 235.72 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(cyclohexylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 107056628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).