5-amino-6-(cyclohexylmethylamino)pyridine-3-carbonitrile

C13H18N4 — CID 103467539

IUPAC5-amino-6-(cyclohexylmethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cnc(NCC2CCCCC2)c(N)c1
InChIInChI=1S/C13H18N4/c14-7-11-6-12(15)13(17-9-11)16-8-10-4-2-1-3-5-10/h6,9-10H,1-5,8,15H2,(H,16,17)
InChIKeyWHCVSFGLXBJPHW-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.53
Rot. Bonds3

About 5-amino-6-(cyclohexylmethylamino)pyridine-3-carbonitrile

5-amino-6-(cyclohexylmethylamino)pyridine-3-carbonitrile (PubChem CID 103467539) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-amino-6-(cyclohexylmethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(cyclohexylmethylamino)pyridine-3-carbonitrile
PubChem CID103467539
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name5-amino-6-(cyclohexylmethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cnc(NCC2CCCCC2)c(N)c1
InChIInChI=1S/C13H18N4/c14-7-11-6-12(15)13(17-9-11)16-8-10-4-2-1-3-5-10/h6,9-10H,1-5,8,15H2,(H,16,17)
InChIKeyWHCVSFGLXBJPHW-UHFFFAOYSA-N
XLogP2.53
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-(cyclobutylmethylamino)pyridine-3-carbonitrile
CID 103467531
6-(cyclobutylmethylamino)-5-nitropyridine-3-carbonitrile
CID 103471221
5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile
CID 103469344
5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 103467321
2-N-(cyclopropylmethyl)-5-methylpyridine-2,3-diamine
CID 66281261
5-amino-6-(2-ethoxyethylamino)pyridine-3-carbonitrile
CID 103467671
5-amino-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-3-carbonitrile
CID 103468880
3-(cyclooctylmethylamino)pyrazine-2-carbonitrile
CID 133283842
5-amino-6-[2-(cyclopenten-1-yl)ethylamino]pyridine-3-carbonitrile
CID 106166022
5-amino-6-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile
CID 103468967
3-amino-2-(cyclopentylmethylamino)pyridine-4-carbonitrile
CID 82817445
5-amino-6-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carbonitrile
CID 103468093

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(cyclohexylmethylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-(cyclohexylmethylamino)pyridine-3-carbonitrile (CID 103467539) is 5-amino-6-(cyclohexylmethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-(cyclohexylmethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-(cyclohexylmethylamino)pyridine-3-carbonitrile is N#Cc1cnc(NCC2CCCCC2)c(N)c1.
What is the InChIKey of 5-amino-6-(cyclohexylmethylamino)pyridine-3-carbonitrile?
The InChIKey is WHCVSFGLXBJPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c14-7-11-6-12(15)13(17-9-11)16-8-10-4-2-1-3-5-10/h6,9-10H,1-5,8,15H2,(H,16,17).
What are the key properties of 5-amino-6-(cyclohexylmethylamino)pyridine-3-carbonitrile?
5-amino-6-(cyclohexylmethylamino)pyridine-3-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(cyclohexylmethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 103467539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).