2-[(3,5-dimethylcyclohexyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C17H23N3 — CID 64723768

IUPAC2-[(3,5-dimethylcyclohexyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCC1CC(C)CC(Nc2nc3c(cc2C#N)CCC3)C1
InChIInChI=1S/C17H23N3/c1-11-6-12(2)8-15(7-11)19-17-14(10-18)9-13-4-3-5-16(13)20-17/h9,11-12,15H,3-8H2,1-2H3,(H,19,20)
InChIKeyNJFAFGDIYDCLLL-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.68
Rot. Bonds2

About 2-[(3,5-dimethylcyclohexyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-[(3,5-dimethylcyclohexyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 64723768) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[(3,5-dimethylcyclohexyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3,5-dimethylcyclohexyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID64723768
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-[(3,5-dimethylcyclohexyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCC1CC(C)CC(Nc2nc3c(cc2C#N)CCC3)C1
InChIInChI=1S/C17H23N3/c1-11-6-12(2)8-15(7-11)19-17-14(10-18)9-13-4-3-5-16(13)20-17/h9,11-12,15H,3-8H2,1-2H3,(H,19,20)
InChIKeyNJFAFGDIYDCLLL-UHFFFAOYSA-N
XLogP3.68
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylcyclohexyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[(3,5-dimethylcyclohexyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 64723768) is 2-[(3,5-dimethylcyclohexyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3,5-dimethylcyclohexyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(3,5-dimethylcyclohexyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is CC1CC(C)CC(Nc2nc3c(cc2C#N)CCC3)C1.
What is the InChIKey of 2-[(3,5-dimethylcyclohexyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is NJFAFGDIYDCLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-11-6-12(2)8-15(7-11)19-17-14(10-18)9-13-4-3-5-16(13)20-17/h9,11-12,15H,3-8H2,1-2H3,(H,19,20).
What are the key properties of 2-[(3,5-dimethylcyclohexyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[(3,5-dimethylcyclohexyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 269.39 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylcyclohexyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 64723768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).