5-[2-(4-methylpiperidin-1-yl)ethylamino]pyridine-2-carbonitrile

C14H20N4 — CID 79840155

IUPAC5-[2-(4-methylpiperidin-1-yl)ethylamino]pyridine-2-carbonitrile
SMILESCC1CCN(CCNc2ccc(C#N)nc2)CC1
InChIInChI=1S/C14H20N4/c1-12-4-7-18(8-5-12)9-6-16-14-3-2-13(10-15)17-11-14/h2-3,11-12,16H,4-9H2,1H3
InChIKeyOEWCQOXTMDYJTQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.10
Rot. Bonds4

About 5-[2-(4-methylpiperidin-1-yl)ethylamino]pyridine-2-carbonitrile

5-[2-(4-methylpiperidin-1-yl)ethylamino]pyridine-2-carbonitrile (PubChem CID 79840155) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-[2-(4-methylpiperidin-1-yl)ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(4-methylpiperidin-1-yl)ethylamino]pyridine-2-carbonitrile
PubChem CID79840155
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name5-[2-(4-methylpiperidin-1-yl)ethylamino]pyridine-2-carbonitrile
SMILESCC1CCN(CCNc2ccc(C#N)nc2)CC1
InChIInChI=1S/C14H20N4/c1-12-4-7-18(8-5-12)9-6-16-14-3-2-13(10-15)17-11-14/h2-3,11-12,16H,4-9H2,1H3
InChIKeyOEWCQOXTMDYJTQ-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile
CID 133372771
2-bromo-4-[2-(4-methylpiperidin-1-yl)ethylamino]benzonitrile
CID 107280326
5-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile
CID 79840147
5-[2-(4-methylpiperidin-1-yl)ethylamino]-2-nitrobenzonitrile
CID 115349362
5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 79839657
4-methyl-N-[2-(4-methylazepan-1-yl)ethyl]aniline
CID 63626139
5-(2-imidazol-1-ylethylamino)pyridine-2-carbonitrile
CID 115487555
4-chloro-N-[2-(4-methylazepan-1-yl)ethyl]aniline
CID 63627196
5-[2-(ethylamino)ethylamino]pyridine-2-carbonitrile
CID 115490362
5-[(1-cyclopropylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 103837573
5-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine
CID 107874553
5-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 79838660

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylpiperidin-1-yl)ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[2-(4-methylpiperidin-1-yl)ethylamino]pyridine-2-carbonitrile (CID 79840155) is 5-[2-(4-methylpiperidin-1-yl)ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-(4-methylpiperidin-1-yl)ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[2-(4-methylpiperidin-1-yl)ethylamino]pyridine-2-carbonitrile is CC1CCN(CCNc2ccc(C#N)nc2)CC1.
What is the InChIKey of 5-[2-(4-methylpiperidin-1-yl)ethylamino]pyridine-2-carbonitrile?
The InChIKey is OEWCQOXTMDYJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-12-4-7-18(8-5-12)9-6-16-14-3-2-13(10-15)17-11-14/h2-3,11-12,16H,4-9H2,1H3.
What are the key properties of 5-[2-(4-methylpiperidin-1-yl)ethylamino]pyridine-2-carbonitrile?
5-[2-(4-methylpiperidin-1-yl)ethylamino]pyridine-2-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylpiperidin-1-yl)ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 79840155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).