2-methyl-6-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile

C16H23N3 — CID 114766330

IUPAC2-methyl-6-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NCCC2CCCC(C)C2)n1
InChIInChI=1S/C16H23N3/c1-12-4-3-5-14(8-12)6-7-18-16-10-15(11-17)9-13(2)19-16/h9-10,12,14H,3-8H2,1-2H3,(H,18,19)
InChIKeyRAPHYGSBIQYSDW-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.89
Rot. Bonds4

About 2-methyl-6-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile

2-methyl-6-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile (PubChem CID 114766330) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-methyl-6-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile
PubChem CID114766330
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-methyl-6-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NCCC2CCCC(C)C2)n1
InChIInChI=1S/C16H23N3/c1-12-4-3-5-14(8-12)6-7-18-16-10-15(11-17)9-13(2)19-16/h9-10,12,14H,3-8H2,1-2H3,(H,18,19)
InChIKeyRAPHYGSBIQYSDW-UHFFFAOYSA-N
XLogP3.89
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[2-(3-methylcyclohexyl)ethyl]pyridazin-3-amine
CID 106549781
2-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
CID 80934639
3-methyl-2-[2-(3-methylcyclohexyl)ethylamino]benzonitrile
CID 107106941
6-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]-2-propylpyrimidin-4-amine
CID 80942828
2-methyl-6-(pentylamino)pyridine-4-carbonitrile
CID 114765696
5-methyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64982714
2-[2-(cyclopenten-1-yl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 106173577
2-(2,2-dimethylbutylamino)-6-methylpyridine-4-carbonitrile
CID 103461768
2-methyl-6-[(2-methylcyclopropyl)amino]pyridine-4-carbonitrile
CID 114766194
4,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazol-2-amine
CID 65168897
6-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-4-amine
CID 66329019
2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethylurea
CID 114766555

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-methyl-6-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile (CID 114766330) is 2-methyl-6-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile is Cc1cc(C#N)cc(NCCC2CCCC(C)C2)n1.
What is the InChIKey of 2-methyl-6-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile?
The InChIKey is RAPHYGSBIQYSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12-4-3-5-14(8-12)6-7-18-16-10-15(11-17)9-13(2)19-16/h9-10,12,14H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-6-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile?
2-methyl-6-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile has a molecular weight of 257.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 114766330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).