4-[cyclohexyl(methyl)amino]pyridine-2-carbonitrile

C13H17N3 — CID 62491803

IUPAC4-[cyclohexyl(methyl)amino]pyridine-2-carbonitrile
SMILESCN(c1ccnc(C#N)c1)C1CCCCC1
InChIInChI=1S/C13H17N3/c1-16(12-5-3-2-4-6-12)13-7-8-15-11(9-13)10-14/h7-9,12H,2-6H2,1H3
InChIKeyCYCCKWJTLMCAQP-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.72
Rot. Bonds2

About 4-[cyclohexyl(methyl)amino]pyridine-2-carbonitrile

4-[cyclohexyl(methyl)amino]pyridine-2-carbonitrile (PubChem CID 62491803) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)amino]pyridine-2-carbonitrile
PubChem CID62491803
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name4-[cyclohexyl(methyl)amino]pyridine-2-carbonitrile
SMILESCN(c1ccnc(C#N)c1)C1CCCCC1
InChIInChI=1S/C13H17N3/c1-16(12-5-3-2-4-6-12)13-7-8-15-11(9-13)10-14/h7-9,12H,2-6H2,1H3
InChIKeyCYCCKWJTLMCAQP-UHFFFAOYSA-N
XLogP2.72
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 4-[cyclohexyl(methyl)amino]pyridine-2-carbonitrile (CID 62491803) is 4-[cyclohexyl(methyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[cyclohexyl(methyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[cyclohexyl(methyl)amino]pyridine-2-carbonitrile is CN(c1ccnc(C#N)c1)C1CCCCC1.
What is the InChIKey of 4-[cyclohexyl(methyl)amino]pyridine-2-carbonitrile?
The InChIKey is CYCCKWJTLMCAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-16(12-5-3-2-4-6-12)13-7-8-15-11(9-13)10-14/h7-9,12H,2-6H2,1H3.
What are the key properties of 4-[cyclohexyl(methyl)amino]pyridine-2-carbonitrile?
4-[cyclohexyl(methyl)amino]pyridine-2-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 62491803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).