4-methyl-1-pyridin-4-ylcyclohexane-1-carbonitrile

C13H16N2 — CID 80524226

IUPAC4-methyl-1-pyridin-4-ylcyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)(c2ccncc2)CC1
InChIInChI=1S/C13H16N2/c1-11-2-6-13(10-14,7-3-11)12-4-8-15-9-5-12/h4-5,8-9,11H,2-3,6-7H2,1H3
InChIKeyAIAKZWCPVVVPHJ-UHFFFAOYSA-N
MW200.29 g/mol
LogP3.05
Rot. Bonds1

About 4-methyl-1-pyridin-4-ylcyclohexane-1-carbonitrile

4-methyl-1-pyridin-4-ylcyclohexane-1-carbonitrile (PubChem CID 80524226) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 4-methyl-1-pyridin-4-ylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-methyl-1-pyridin-4-ylcyclohexane-1-carbonitrile
PubChem CID80524226
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name4-methyl-1-pyridin-4-ylcyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)(c2ccncc2)CC1
InChIInChI=1S/C13H16N2/c1-11-2-6-13(10-14,7-3-11)12-4-8-15-9-5-12/h4-5,8-9,11H,2-3,6-7H2,1H3
InChIKeyAIAKZWCPVVVPHJ-UHFFFAOYSA-N
XLogP3.05
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-pyridin-4-ylcyclobutane-1-carbonitrile
CID 80524343
1-pyridin-4-ylcyclohexane-1-carbonitrile
CID 22314789
4-pyridin-4-ylpiperidine-4-carbonitrile;hydrochloride
CID 67562162
3-pyridin-4-yloxolane-3-carbonitrile
CID 130160291
1-(4-cyclopropylphenyl)cyclopentane-1-carbonitrile
CID 117047053
azane;1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-methylcyclohexane-1-carbonitrile
CID 70075700
1-phenyl-3-(pyridin-4-ylmethylamino)cyclobutane-1-carbonitrile
CID 64904841
N-(1-cyano-4-methylcyclohexyl)-N-methyl-2-pyridin-4-ylsulfanylpropanamide
CID 127265563
tert-butyl 3-cyano-3-pyridin-4-ylpyrrolidine-1-carboxylate
CID 22236898
4-(1-tert-butylcyclopropyl)pyridine
CID 59574595
ethane;4-(1-methylcyclopentyl)pyridine
CID 144662823
4-methyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclohexan-1-ol
CID 65116152

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pyridin-4-ylcyclohexane-1-carbonitrile?
The IUPAC name of 4-methyl-1-pyridin-4-ylcyclohexane-1-carbonitrile (CID 80524226) is 4-methyl-1-pyridin-4-ylcyclohexane-1-carbonitrile.
What is the SMILES notation for 4-methyl-1-pyridin-4-ylcyclohexane-1-carbonitrile?
The canonical SMILES for 4-methyl-1-pyridin-4-ylcyclohexane-1-carbonitrile is CC1CCC(C#N)(c2ccncc2)CC1.
What is the InChIKey of 4-methyl-1-pyridin-4-ylcyclohexane-1-carbonitrile?
The InChIKey is AIAKZWCPVVVPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-11-2-6-13(10-14,7-3-11)12-4-8-15-9-5-12/h4-5,8-9,11H,2-3,6-7H2,1H3.
What are the key properties of 4-methyl-1-pyridin-4-ylcyclohexane-1-carbonitrile?
4-methyl-1-pyridin-4-ylcyclohexane-1-carbonitrile has a molecular weight of 200.29 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pyridin-4-ylcyclohexane-1-carbonitrile is sourced from PubChem (CID 80524226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).