3-[2-(cycloheptylamino)ethylamino]pyridine-2-carbonitrile

C15H22N4 — CID 115306698

IUPAC3-[2-(cycloheptylamino)ethylamino]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1NCCNC1CCCCCC1
InChIInChI=1S/C15H22N4/c16-12-15-14(8-5-9-18-15)19-11-10-17-13-6-3-1-2-4-7-13/h5,8-9,13,17,19H,1-4,6-7,10-11H2
InChIKeyQTGDOLPYELIADT-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.68
Rot. Bonds5

About 3-[2-(cycloheptylamino)ethylamino]pyridine-2-carbonitrile

3-[2-(cycloheptylamino)ethylamino]pyridine-2-carbonitrile (PubChem CID 115306698) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-[2-(cycloheptylamino)ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[2-(cycloheptylamino)ethylamino]pyridine-2-carbonitrile
PubChem CID115306698
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name3-[2-(cycloheptylamino)ethylamino]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1NCCNC1CCCCCC1
InChIInChI=1S/C15H22N4/c16-12-15-14(8-5-9-18-15)19-11-10-17-13-6-3-1-2-4-7-13/h5,8-9,13,17,19H,1-4,6-7,10-11H2
InChIKeyQTGDOLPYELIADT-UHFFFAOYSA-N
XLogP2.68
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-cyano-3-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 104696736
3-[(2-methylcyclopentyl)methylamino]pyridine-2-carbonitrile
CID 107418642
3-[(1-methylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 114094936
5-chloro-2-[2-(cycloheptylamino)ethylamino]benzonitrile
CID 115306630
3-(thiolan-3-ylmethylamino)pyridine-2-carbonitrile
CID 107296225
2-[2-(cycloheptylamino)ethylamino]-4-methylpyridine-3-carbonitrile
CID 115306682
2-[(2-cyano-3-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337732
1-[[(2-cyano-3-pyridinyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436141
5-[2-(cycloheptylamino)ethylamino]pyrazine-2-carbonitrile
CID 115306779
N-cycloheptyl-N'-phenylethane-1,2-diamine
CID 61149751
3-[4-(2,6-dimethylmorpholin-4-yl)butylamino]pyridine-2-carbonitrile
CID 136531393
3-(cycloheptylmethoxy)pyridine-2-carbonitrile
CID 114083871

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cycloheptylamino)ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-[2-(cycloheptylamino)ethylamino]pyridine-2-carbonitrile (CID 115306698) is 3-[2-(cycloheptylamino)ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[2-(cycloheptylamino)ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-[2-(cycloheptylamino)ethylamino]pyridine-2-carbonitrile is N#Cc1ncccc1NCCNC1CCCCCC1.
What is the InChIKey of 3-[2-(cycloheptylamino)ethylamino]pyridine-2-carbonitrile?
The InChIKey is QTGDOLPYELIADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c16-12-15-14(8-5-9-18-15)19-11-10-17-13-6-3-1-2-4-7-13/h5,8-9,13,17,19H,1-4,6-7,10-11H2.
What are the key properties of 3-[2-(cycloheptylamino)ethylamino]pyridine-2-carbonitrile?
3-[2-(cycloheptylamino)ethylamino]pyridine-2-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cycloheptylamino)ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 115306698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).