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

C15H21N3 — CID 63884989

IUPAC4-[[cyclohexyl(ethyl)amino]methyl]pyridine-2-carbonitrile
SMILESCCN(Cc1ccnc(C#N)c1)C1CCCCC1
InChIInChI=1S/C15H21N3/c1-2-18(15-6-4-3-5-7-15)12-13-8-9-17-14(10-13)11-16/h8-10,15H,2-7,12H2,1H3
InChIKeyCJYSXOKCLWUMPP-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.11
Rot. Bonds4

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

4-[[cyclohexyl(ethyl)amino]methyl]pyridine-2-carbonitrile (PubChem CID 63884989) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-[[cyclohexyl(ethyl)amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[cyclohexyl(ethyl)amino]methyl]pyridine-2-carbonitrile
PubChem CID63884989
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-[[cyclohexyl(ethyl)amino]methyl]pyridine-2-carbonitrile
SMILESCCN(Cc1ccnc(C#N)c1)C1CCCCC1
InChIInChI=1S/C15H21N3/c1-2-18(15-6-4-3-5-7-15)12-13-8-9-17-14(10-13)11-16/h8-10,15H,2-7,12H2,1H3
InChIKeyCJYSXOKCLWUMPP-UHFFFAOYSA-N
XLogP3.11
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[cyclohexyl(ethyl)amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[cyclohexyl(ethyl)amino]methyl]pyridine-2-carbonitrile (CID 63884989) is 4-[[cyclohexyl(ethyl)amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[cyclohexyl(ethyl)amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[cyclohexyl(ethyl)amino]methyl]pyridine-2-carbonitrile is CCN(Cc1ccnc(C#N)c1)C1CCCCC1.
What is the InChIKey of 4-[[cyclohexyl(ethyl)amino]methyl]pyridine-2-carbonitrile?
The InChIKey is CJYSXOKCLWUMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-18(15-6-4-3-5-7-15)12-13-8-9-17-14(10-13)11-16/h8-10,15H,2-7,12H2,1H3.
What are the key properties of 4-[[cyclohexyl(ethyl)amino]methyl]pyridine-2-carbonitrile?
4-[[cyclohexyl(ethyl)amino]methyl]pyridine-2-carbonitrile has a molecular weight of 243.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclohexyl(ethyl)amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63884989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).