3-amino-2-(1-cyclopentylethylamino)pyridine-4-carbonitrile

C13H18N4 — CID 82813264

IUPAC3-amino-2-(1-cyclopentylethylamino)pyridine-4-carbonitrile
SMILESCC(Nc1nccc(C#N)c1N)C1CCCC1
InChIInChI=1S/C13H18N4/c1-9(10-4-2-3-5-10)17-13-12(15)11(8-14)6-7-16-13/h6-7,9-10H,2-5,15H2,1H3,(H,16,17)
InChIKeyFUMZNCUJAQGOQX-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.53
Rot. Bonds3

About 3-amino-2-(1-cyclopentylethylamino)pyridine-4-carbonitrile

3-amino-2-(1-cyclopentylethylamino)pyridine-4-carbonitrile (PubChem CID 82813264) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-amino-2-(1-cyclopentylethylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(1-cyclopentylethylamino)pyridine-4-carbonitrile
PubChem CID82813264
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name3-amino-2-(1-cyclopentylethylamino)pyridine-4-carbonitrile
SMILESCC(Nc1nccc(C#N)c1N)C1CCCC1
InChIInChI=1S/C13H18N4/c1-9(10-4-2-3-5-10)17-13-12(15)11(8-14)6-7-16-13/h6-7,9-10H,2-5,15H2,1H3,(H,16,17)
InChIKeyFUMZNCUJAQGOQX-UHFFFAOYSA-N
XLogP2.53
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(propan-2-ylamino)pyridine-4-carbonitrile
CID 82817119
3-amino-2-(cyclopentylamino)pyridine-4-carbonitrile
CID 82817355
3-amino-2-(cyclooctylamino)pyridine-4-carbonitrile
CID 82817121
3-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyridine-4-carbonitrile
CID 82817357
3-amino-2-(cyclopentylmethylamino)pyridine-4-carbonitrile
CID 82817445
3-amino-2-[(2-methylcycloheptyl)amino]pyridine-4-carbonitrile
CID 82813370
3-amino-2-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbonitrile
CID 82816660
3-amino-2-(2-cyclopentylethylamino)pyridine-4-carbonitrile
CID 82816968
3-amino-2-[(2-hydroxycycloheptyl)amino]pyridine-4-carbonitrile
CID 113394617
3-amino-2-[1-(furan-2-yl)ethylamino]pyridine-4-carbonitrile
CID 82817603
3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carbonitrile
CID 82812965
5-amino-4-(1-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136975856

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1-cyclopentylethylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(1-cyclopentylethylamino)pyridine-4-carbonitrile (CID 82813264) is 3-amino-2-(1-cyclopentylethylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(1-cyclopentylethylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(1-cyclopentylethylamino)pyridine-4-carbonitrile is CC(Nc1nccc(C#N)c1N)C1CCCC1.
What is the InChIKey of 3-amino-2-(1-cyclopentylethylamino)pyridine-4-carbonitrile?
The InChIKey is FUMZNCUJAQGOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9(10-4-2-3-5-10)17-13-12(15)11(8-14)6-7-16-13/h6-7,9-10H,2-5,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-2-(1-cyclopentylethylamino)pyridine-4-carbonitrile?
3-amino-2-(1-cyclopentylethylamino)pyridine-4-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1-cyclopentylethylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 82813264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).