5-amino-2-[cyclopentyl(ethyl)amino]pyridine-3-carbonitrile

C13H18N4 — CID 54860618

IUPAC5-amino-2-[cyclopentyl(ethyl)amino]pyridine-3-carbonitrile
SMILESCCN(c1ncc(N)cc1C#N)C1CCCC1
InChIInChI=1S/C13H18N4/c1-2-17(12-5-3-4-6-12)13-10(8-14)7-11(15)9-16-13/h7,9,12H,2-6,15H2,1H3
InChIKeyXZFNZUNOZGROCF-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.30
Rot. Bonds3

About 5-amino-2-[cyclopentyl(ethyl)amino]pyridine-3-carbonitrile

5-amino-2-[cyclopentyl(ethyl)amino]pyridine-3-carbonitrile (PubChem CID 54860618) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-amino-2-[cyclopentyl(ethyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[cyclopentyl(ethyl)amino]pyridine-3-carbonitrile
PubChem CID54860618
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name5-amino-2-[cyclopentyl(ethyl)amino]pyridine-3-carbonitrile
SMILESCCN(c1ncc(N)cc1C#N)C1CCCC1
InChIInChI=1S/C13H18N4/c1-2-17(12-5-3-4-6-12)13-10(8-14)7-11(15)9-16-13/h7,9,12H,2-6,15H2,1H3
InChIKeyXZFNZUNOZGROCF-UHFFFAOYSA-N
XLogP2.30
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine
CID 43345
2-(Piperazin-1-yl)pyridine-3-carbonitrile
CID 2737203
3-Pyridyl pinacidil
CID 43347
Guanidine, 2-cyano-1-neopentyl-3-(3-pyridyl)-
CID 3042790
6-(1,4-Diazepan-1-yl)nicotinonitrile
CID 2747101
3-Pyridinecarbonitrile, 6-(4-methyl-1-piperazinyl)-
CID 3042935
N-Cyano-N''-(3-methylbutyl)-N'-pyridin-3-ylguanidine
CID 3042800
2-[1-[(4-Methyl-2-pyridinyl)amino]ethylidene]propanedinitrile
CID 3598085
Guanidine, 2-cyano-1-(3-pentyl)-3-(3-pyridyl)-
CID 43346
Guanidine, 2-cyano-1-cyclopentyl-3-(3-pyridyl)-
CID 43351
Guanidine, 2-cyano-1-(2-methylallyl)-3-(3-pyridyl)-
CID 43352
2-(4-Methylpiperazin-1-yl)pyridin-3-amine
CID 199808

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[cyclopentyl(ethyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[cyclopentyl(ethyl)amino]pyridine-3-carbonitrile (CID 54860618) is 5-amino-2-[cyclopentyl(ethyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[cyclopentyl(ethyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[cyclopentyl(ethyl)amino]pyridine-3-carbonitrile is CCN(c1ncc(N)cc1C#N)C1CCCC1.
What is the InChIKey of 5-amino-2-[cyclopentyl(ethyl)amino]pyridine-3-carbonitrile?
The InChIKey is XZFNZUNOZGROCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-2-17(12-5-3-4-6-12)13-10(8-14)7-11(15)9-16-13/h7,9,12H,2-6,15H2,1H3.
What are the key properties of 5-amino-2-[cyclopentyl(ethyl)amino]pyridine-3-carbonitrile?
5-amino-2-[cyclopentyl(ethyl)amino]pyridine-3-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[cyclopentyl(ethyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 54860618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).