4-[(2-methylcyclohexyl)methylamino]pyridine-2-carbonitrile

C14H19N3 — CID 62925361

IUPAC4-[(2-methylcyclohexyl)methylamino]pyridine-2-carbonitrile
SMILESCC1CCCCC1CNc1ccnc(C#N)c1
InChIInChI=1S/C14H19N3/c1-11-4-2-3-5-12(11)10-17-13-6-7-16-14(8-13)9-15/h6-8,11-12H,2-5,10H2,1H3,(H,16,17)
InChIKeyHSXBNCZNHPZBLN-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.19
Rot. Bonds3

About 4-[(2-methylcyclohexyl)methylamino]pyridine-2-carbonitrile

4-[(2-methylcyclohexyl)methylamino]pyridine-2-carbonitrile (PubChem CID 62925361) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-[(2-methylcyclohexyl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(2-methylcyclohexyl)methylamino]pyridine-2-carbonitrile
PubChem CID62925361
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-[(2-methylcyclohexyl)methylamino]pyridine-2-carbonitrile
SMILESCC1CCCCC1CNc1ccnc(C#N)c1
InChIInChI=1S/C14H19N3/c1-11-4-2-3-5-12(11)10-17-13-6-7-16-14(8-13)9-15/h6-8,11-12H,2-5,10H2,1H3,(H,16,17)
InChIKeyHSXBNCZNHPZBLN-UHFFFAOYSA-N
XLogP3.19
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylcyclohexyl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 4-[(2-methylcyclohexyl)methylamino]pyridine-2-carbonitrile (CID 62925361) is 4-[(2-methylcyclohexyl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(2-methylcyclohexyl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(2-methylcyclohexyl)methylamino]pyridine-2-carbonitrile is CC1CCCCC1CNc1ccnc(C#N)c1.
What is the InChIKey of 4-[(2-methylcyclohexyl)methylamino]pyridine-2-carbonitrile?
The InChIKey is HSXBNCZNHPZBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-4-2-3-5-12(11)10-17-13-6-7-16-14(8-13)9-15/h6-8,11-12H,2-5,10H2,1H3,(H,16,17).
What are the key properties of 4-[(2-methylcyclohexyl)methylamino]pyridine-2-carbonitrile?
4-[(2-methylcyclohexyl)methylamino]pyridine-2-carbonitrile has a molecular weight of 229.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylcyclohexyl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 62925361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).