6-[(4-propylcyclohexyl)amino]pyridine-3-carbonitrile

C15H21N3 — CID 61371820

IUPAC6-[(4-propylcyclohexyl)amino]pyridine-3-carbonitrile
SMILESCCCC1CCC(Nc2ccc(C#N)cn2)CC1
InChIInChI=1S/C15H21N3/c1-2-3-12-4-7-14(8-5-12)18-15-9-6-13(10-16)11-17-15/h6,9,11-12,14H,2-5,7-8H2,1H3,(H,17,18)
InChIKeyAYWKBWCIWXQTPJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.72
Rot. Bonds4

About 6-[(4-propylcyclohexyl)amino]pyridine-3-carbonitrile

6-[(4-propylcyclohexyl)amino]pyridine-3-carbonitrile (PubChem CID 61371820) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 6-[(4-propylcyclohexyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(4-propylcyclohexyl)amino]pyridine-3-carbonitrile
PubChem CID61371820
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name6-[(4-propylcyclohexyl)amino]pyridine-3-carbonitrile
SMILESCCCC1CCC(Nc2ccc(C#N)cn2)CC1
InChIInChI=1S/C15H21N3/c1-2-3-12-4-7-14(8-5-12)18-15-9-6-13(10-16)11-17-15/h6,9,11-12,14H,2-5,7-8H2,1H3,(H,17,18)
InChIKeyAYWKBWCIWXQTPJ-UHFFFAOYSA-N
XLogP3.72
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-propylcyclohexyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(4-propylcyclohexyl)amino]pyridine-3-carbonitrile (CID 61371820) is 6-[(4-propylcyclohexyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(4-propylcyclohexyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(4-propylcyclohexyl)amino]pyridine-3-carbonitrile is CCCC1CCC(Nc2ccc(C#N)cn2)CC1.
What is the InChIKey of 6-[(4-propylcyclohexyl)amino]pyridine-3-carbonitrile?
The InChIKey is AYWKBWCIWXQTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-3-12-4-7-14(8-5-12)18-15-9-6-13(10-16)11-17-15/h6,9,11-12,14H,2-5,7-8H2,1H3,(H,17,18).
What are the key properties of 6-[(4-propylcyclohexyl)amino]pyridine-3-carbonitrile?
6-[(4-propylcyclohexyl)amino]pyridine-3-carbonitrile has a molecular weight of 243.35 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-propylcyclohexyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 61371820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).