3-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]pyridine-2-carbonitrile

C15H21N3 — CID 64921974

IUPAC3-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]pyridine-2-carbonitrile
SMILESCCC1CCC(NCc2cccnc2C#N)C1C
InChIInChI=1S/C15H21N3/c1-3-12-6-7-14(11(12)2)18-10-13-5-4-8-17-15(13)9-16/h4-5,8,11-12,14,18H,3,6-7,10H2,1-2H3
InChIKeyDLYDRZVUGUXCEA-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.87
Rot. Bonds4

About 3-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]pyridine-2-carbonitrile

3-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]pyridine-2-carbonitrile (PubChem CID 64921974) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]pyridine-2-carbonitrile
PubChem CID64921974
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]pyridine-2-carbonitrile
SMILESCCC1CCC(NCc2cccnc2C#N)C1C
InChIInChI=1S/C15H21N3/c1-3-12-6-7-14(11(12)2)18-10-13-5-4-8-17-15(13)9-16/h4-5,8,11-12,14,18H,3,6-7,10H2,1-2H3
InChIKeyDLYDRZVUGUXCEA-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]pyridine-2-carbonitrile (CID 64921974) is 3-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]pyridine-2-carbonitrile is CCC1CCC(NCc2cccnc2C#N)C1C.
What is the InChIKey of 3-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]pyridine-2-carbonitrile?
The InChIKey is DLYDRZVUGUXCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-12-6-7-14(11(12)2)18-10-13-5-4-8-17-15(13)9-16/h4-5,8,11-12,14,18H,3,6-7,10H2,1-2H3.
What are the key properties of 3-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]pyridine-2-carbonitrile?
3-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]pyridine-2-carbonitrile has a molecular weight of 243.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 64921974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).