5-[(2-aminocycloheptyl)amino]pyridine-2-carbonitrile

C13H18N4 — CID 113321442

IUPAC5-[(2-aminocycloheptyl)amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NC2CCCCCC2N)cn1
InChIInChI=1S/C13H18N4/c14-8-10-6-7-11(9-16-10)17-13-5-3-1-2-4-12(13)15/h6-7,9,12-13,17H,1-5,15H2
InChIKeyCMFSYSOIUDXGQU-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.03
Rot. Bonds2

About 5-[(2-aminocycloheptyl)amino]pyridine-2-carbonitrile

5-[(2-aminocycloheptyl)amino]pyridine-2-carbonitrile (PubChem CID 113321442) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-[(2-aminocycloheptyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2-aminocycloheptyl)amino]pyridine-2-carbonitrile
PubChem CID113321442
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name5-[(2-aminocycloheptyl)amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NC2CCCCCC2N)cn1
InChIInChI=1S/C13H18N4/c14-8-10-6-7-11(9-16-10)17-13-5-3-1-2-4-12(13)15/h6-7,9,12-13,17H,1-5,15H2
InChIKeyCMFSYSOIUDXGQU-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-2-carbonitrile
CID 115487454
5-[[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]amino]pyridine-2-carbonitrile
CID 124779116
5-(piperidin-3-ylamino)pyridine-2-carbonitrile
CID 115490388
2-[(2-aminocyclopentyl)amino]pyrimidine-4-carbonitrile
CID 107552495
1-N-pyridin-4-ylcycloheptane-1,2-diamine
CID 63258544
4-[[(1S,2S)-2-aminocyclohexyl]amino]-2-(trifluoromethyl)benzonitrile
CID 93453587
2-N-pyridin-4-ylcyclohexane-1,2-diamine
CID 61038015
trans-(1R,2R)-2-N-pyridin-4-ylcyclohexane-1,2-diamine
CID 93453630
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(isoquinolin-7-ylamino)pyridine-2-carbonitrile
CID 86716565
5-[(3-methylsulfanylcyclohexyl)amino]pyridine-2-carbonitrile
CID 91659454
5-(3-cyclopentylpropylamino)pyridine-2-carbonitrile
CID 103736388
5-[[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyridine-2-carbonitrile
CID 124863257

Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminocycloheptyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(2-aminocycloheptyl)amino]pyridine-2-carbonitrile (CID 113321442) is 5-[(2-aminocycloheptyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(2-aminocycloheptyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(2-aminocycloheptyl)amino]pyridine-2-carbonitrile is N#Cc1ccc(NC2CCCCCC2N)cn1.
What is the InChIKey of 5-[(2-aminocycloheptyl)amino]pyridine-2-carbonitrile?
The InChIKey is CMFSYSOIUDXGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c14-8-10-6-7-11(9-16-10)17-13-5-3-1-2-4-12(13)15/h6-7,9,12-13,17H,1-5,15H2.
What are the key properties of 5-[(2-aminocycloheptyl)amino]pyridine-2-carbonitrile?
5-[(2-aminocycloheptyl)amino]pyridine-2-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-aminocycloheptyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 113321442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).