3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carbonitrile

C13H18N4 — CID 82812965

IUPAC3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carbonitrile
SMILESCC1(C)CCCC1Nc1nccc(C#N)c1N
InChIInChI=1S/C13H18N4/c1-13(2)6-3-4-10(13)17-12-11(15)9(8-14)5-7-16-12/h5,7,10H,3-4,6,15H2,1-2H3,(H,16,17)
InChIKeyAFOGHOAHQHWYFS-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.53
Rot. Bonds2

About 3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carbonitrile

3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carbonitrile (PubChem CID 82812965) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carbonitrile
PubChem CID82812965
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carbonitrile
SMILESCC1(C)CCCC1Nc1nccc(C#N)c1N
InChIInChI=1S/C13H18N4/c1-13(2)6-3-4-10(13)17-12-11(15)9(8-14)5-7-16-12/h5,7,10H,3-4,6,15H2,1-2H3,(H,16,17)
InChIKeyAFOGHOAHQHWYFS-UHFFFAOYSA-N
XLogP2.53
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carbonitrile (CID 82812965) is 3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carbonitrile is CC1(C)CCCC1Nc1nccc(C#N)c1N.
What is the InChIKey of 3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carbonitrile?
The InChIKey is AFOGHOAHQHWYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-13(2)6-3-4-10(13)17-12-11(15)9(8-14)5-7-16-12/h5,7,10H,3-4,6,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carbonitrile?
3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 82812965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).