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

C13H17ClN4 — CID 107061344

IUPAC3-chloro-2-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile
SMILESCNC1CCC(Nc2nccc(C#N)c2Cl)CC1
InChIInChI=1S/C13H17ClN4/c1-16-10-2-4-11(5-3-10)18-13-12(14)9(8-15)6-7-17-13/h6-7,10-11,16H,2-5H2,1H3,(H,17,18)
InChIKeyOELQOAFBYZKCJW-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.55
Rot. Bonds3

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

3-chloro-2-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile (PubChem CID 107061344) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 3-chloro-2-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile
PubChem CID107061344
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name3-chloro-2-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile
SMILESCNC1CCC(Nc2nccc(C#N)c2Cl)CC1
InChIInChI=1S/C13H17ClN4/c1-16-10-2-4-11(5-3-10)18-13-12(14)9(8-15)6-7-17-13/h6-7,10-11,16H,2-5H2,1H3,(H,17,18)
InChIKeyOELQOAFBYZKCJW-UHFFFAOYSA-N
XLogP2.55
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-(cyclohexylamino)pyridine-4-carbonitrile
CID 107056628
2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile
CID 79110256
3-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carbonitrile
CID 107057709
3-chloro-2-[(2-methoxycyclopentyl)amino]pyridine-4-carbonitrile
CID 107057512
4-chloro-2-(cyclopropylamino)pyridine-3-carbonitrile
CID 141354272
3-amino-2-(cyclopentylamino)pyridine-4-carbonitrile
CID 82817355
3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile
CID 107056636
3-amino-2-(cyclooctylamino)pyridine-4-carbonitrile
CID 82817121
3-chloro-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-4-carbonitrile
CID 114119318
4-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 107058013
2-[(2-amino-1-cyclohexylethyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061374
3-[(4-methylcyclohexyl)amino]pyridazine-4-carbonitrile
CID 80509395

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile (CID 107061344) is 3-chloro-2-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile is CNC1CCC(Nc2nccc(C#N)c2Cl)CC1.
What is the InChIKey of 3-chloro-2-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile?
The InChIKey is OELQOAFBYZKCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-16-10-2-4-11(5-3-10)18-13-12(14)9(8-15)6-7-17-13/h6-7,10-11,16H,2-5H2,1H3,(H,17,18).
What are the key properties of 3-chloro-2-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile?
3-chloro-2-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile has a molecular weight of 264.76 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 107061344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).