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

C13H17N3 — CID 115880942

IUPAC2-[(3,3-dimethylcyclopentyl)amino]pyridine-3-carbonitrile
SMILESCC1(C)CCC(Nc2ncccc2C#N)C1
InChIInChI=1S/C13H17N3/c1-13(2)6-5-11(8-13)16-12-10(9-14)4-3-7-15-12/h3-4,7,11H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyBEOIFBQHXIBTQX-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.94
Rot. Bonds2

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

2-[(3,3-dimethylcyclopentyl)amino]pyridine-3-carbonitrile (PubChem CID 115880942) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[(3,3-dimethylcyclopentyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3,3-dimethylcyclopentyl)amino]pyridine-3-carbonitrile
PubChem CID115880942
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-[(3,3-dimethylcyclopentyl)amino]pyridine-3-carbonitrile
SMILESCC1(C)CCC(Nc2ncccc2C#N)C1
InChIInChI=1S/C13H17N3/c1-13(2)6-5-11(8-13)16-12-10(9-14)4-3-7-15-12/h3-4,7,11H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyBEOIFBQHXIBTQX-UHFFFAOYSA-N
XLogP2.94
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carbonitrile
CID 30690579
2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile
CID 79110256
2-[(3,3-dimethylcyclopentyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 115880992
2-[(1-oxothian-4-yl)amino]pyridine-3-carbonitrile
CID 115886619
N-(3,3-dimethylcyclopentyl)isoquinolin-1-amine
CID 114548093
2-[(3-methoxycyclopentyl)amino]pyridine-3-carbonitrile
CID 103081967
2-[[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]pyridine-3-carbonitrile
CID 97235146
3-N-(3,3-dimethylcyclopentyl)pyrazine-2,3-diamine
CID 103883799
2-[(1-methylcyclobutyl)amino]pyridine-3-carbonitrile
CID 115765447
3-[(3-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 66030778
2-[(3,3-dimethylcyclopentyl)amino]-5-methylbenzonitrile
CID 107927907
2-[(3,3-dimethylcyclopentyl)amino]-6-fluorobenzonitrile
CID 80693483

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylcyclopentyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[(3,3-dimethylcyclopentyl)amino]pyridine-3-carbonitrile (CID 115880942) is 2-[(3,3-dimethylcyclopentyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3,3-dimethylcyclopentyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(3,3-dimethylcyclopentyl)amino]pyridine-3-carbonitrile is CC1(C)CCC(Nc2ncccc2C#N)C1.
What is the InChIKey of 2-[(3,3-dimethylcyclopentyl)amino]pyridine-3-carbonitrile?
The InChIKey is BEOIFBQHXIBTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-13(2)6-5-11(8-13)16-12-10(9-14)4-3-7-15-12/h3-4,7,11H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of 2-[(3,3-dimethylcyclopentyl)amino]pyridine-3-carbonitrile?
2-[(3,3-dimethylcyclopentyl)amino]pyridine-3-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylcyclopentyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 115880942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).