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

C13H18N4 — CID 82816968

IUPAC3-amino-2-(2-cyclopentylethylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCCC2CCCC2)c1N
InChIInChI=1S/C13H18N4/c14-9-11-6-8-17-13(12(11)15)16-7-5-10-3-1-2-4-10/h6,8,10H,1-5,7,15H2,(H,16,17)
InChIKeyBFZMHXTXTGDGRO-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.53
Rot. Bonds4

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

3-amino-2-(2-cyclopentylethylamino)pyridine-4-carbonitrile (PubChem CID 82816968) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-amino-2-(2-cyclopentylethylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(2-cyclopentylethylamino)pyridine-4-carbonitrile
PubChem CID82816968
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name3-amino-2-(2-cyclopentylethylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCCC2CCCC2)c1N
InChIInChI=1S/C13H18N4/c14-9-11-6-8-17-13(12(11)15)16-7-5-10-3-1-2-4-10/h6,8,10H,1-5,7,15H2,(H,16,17)
InChIKeyBFZMHXTXTGDGRO-UHFFFAOYSA-N
XLogP2.53
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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-(cyclopentylmethylamino)pyridine-4-carbonitrile
CID 82817445
3-amino-2-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile
CID 114135773
3-amino-2-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile
CID 114097597
3-amino-2-(cyclopentylamino)pyridine-4-carbonitrile
CID 82817355
3-amino-2-(propylamino)pyridine-4-carbonitrile
CID 82817034
3-amino-2-(2-pyrrolidin-1-ylethylamino)pyridine-4-carbonitrile
CID 82817159
3-amino-2-(cyclooctylamino)pyridine-4-carbonitrile
CID 82817121
2-amino-3-(2-cyclopentylethylamino)benzonitrile
CID 104716387
3-amino-2-(3-fluoropropylamino)pyridine-4-carbonitrile
CID 130503947
3-amino-2-[(2-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile
CID 82813785
3-amino-2-(2-ethoxyethylamino)pyridine-4-carbonitrile
CID 82816731
3-amino-2-[4-(dimethylamino)butylamino]pyridine-4-carbonitrile
CID 82817310

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-cyclopentylethylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(2-cyclopentylethylamino)pyridine-4-carbonitrile (CID 82816968) is 3-amino-2-(2-cyclopentylethylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(2-cyclopentylethylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(2-cyclopentylethylamino)pyridine-4-carbonitrile is N#Cc1ccnc(NCCC2CCCC2)c1N.
What is the InChIKey of 3-amino-2-(2-cyclopentylethylamino)pyridine-4-carbonitrile?
The InChIKey is BFZMHXTXTGDGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c14-9-11-6-8-17-13(12(11)15)16-7-5-10-3-1-2-4-10/h6,8,10H,1-5,7,15H2,(H,16,17).
What are the key properties of 3-amino-2-(2-cyclopentylethylamino)pyridine-4-carbonitrile?
3-amino-2-(2-cyclopentylethylamino)pyridine-4-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-cyclopentylethylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 82816968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).