2-[ethyl(piperidin-4-ylmethyl)amino]pyridine-3-carbonitrile

C14H20N4 — CID 79719604

IUPAC2-[ethyl(piperidin-4-ylmethyl)amino]pyridine-3-carbonitrile
SMILESCCN(CC1CCNCC1)c1ncccc1C#N
InChIInChI=1S/C14H20N4/c1-2-18(11-12-5-8-16-9-6-12)14-13(10-15)4-3-7-17-14/h3-4,7,12,16H,2,5-6,8-9,11H2,1H3
InChIKeyNIOPRWPVQGXSFK-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.78
Rot. Bonds4

About 2-[ethyl(piperidin-4-ylmethyl)amino]pyridine-3-carbonitrile

2-[ethyl(piperidin-4-ylmethyl)amino]pyridine-3-carbonitrile (PubChem CID 79719604) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[ethyl(piperidin-4-ylmethyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[ethyl(piperidin-4-ylmethyl)amino]pyridine-3-carbonitrile
PubChem CID79719604
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-[ethyl(piperidin-4-ylmethyl)amino]pyridine-3-carbonitrile
SMILESCCN(CC1CCNCC1)c1ncccc1C#N
InChIInChI=1S/C14H20N4/c1-2-18(11-12-5-8-16-9-6-12)14-13(10-15)4-3-7-17-14/h3-4,7,12,16H,2,5-6,8-9,11H2,1H3
InChIKeyNIOPRWPVQGXSFK-UHFFFAOYSA-N
XLogP1.78
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(piperidin-4-ylmethyl)amino]-3-nitropyridine-4-carbonitrile
CID 82795332
2-(diethylamino)pyridine-3-carbonitrile
CID 10012430
N-ethyl-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104732733
2-[ethyl(prop-2-enyl)amino]pyridine-3-carbonitrile
CID 78958811
6-[ethyl(piperidin-4-ylmethyl)amino]pyridine-3-carbonitrile
CID 79719387
2-[2-aminoethyl(ethyl)amino]pyridine-3-carbonitrile
CID 114900544
3-bromo-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107400762
1-ethyl-3-[ethyl(piperidin-4-ylmethyl)amino]pyrazin-2-one
CID 79719452
2-[methyl(oxolan-3-ylmethyl)amino]pyridine-3-carbonitrile
CID 71862352
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-carbonitrile
CID 61232349
2-(N-ethylanilino)pyridine-3-carbonitrile
CID 24708158
2-[cyclopropyl(propyl)amino]pyridine-3-carbonitrile
CID 43270562

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(piperidin-4-ylmethyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[ethyl(piperidin-4-ylmethyl)amino]pyridine-3-carbonitrile (CID 79719604) is 2-[ethyl(piperidin-4-ylmethyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[ethyl(piperidin-4-ylmethyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[ethyl(piperidin-4-ylmethyl)amino]pyridine-3-carbonitrile is CCN(CC1CCNCC1)c1ncccc1C#N.
What is the InChIKey of 2-[ethyl(piperidin-4-ylmethyl)amino]pyridine-3-carbonitrile?
The InChIKey is NIOPRWPVQGXSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-2-18(11-12-5-8-16-9-6-12)14-13(10-15)4-3-7-17-14/h3-4,7,12,16H,2,5-6,8-9,11H2,1H3.
What are the key properties of 2-[ethyl(piperidin-4-ylmethyl)amino]pyridine-3-carbonitrile?
2-[ethyl(piperidin-4-ylmethyl)amino]pyridine-3-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(piperidin-4-ylmethyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 79719604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).