2-[(2-hydroxy-2-methylpropyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C14H19N3O — CID 78964766

IUPAC2-[(2-hydroxy-2-methylpropyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCN(CC(C)(C)O)c1nc2c(cc1C#N)CCC2
InChIInChI=1S/C14H19N3O/c1-14(2,18)9-17(3)13-11(8-15)7-10-5-4-6-12(10)16-13/h7,18H,4-6,9H2,1-3H3
InChIKeyLAGCTDHZFKGQKW-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.65
Rot. Bonds3

About 2-[(2-hydroxy-2-methylpropyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-[(2-hydroxy-2-methylpropyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 78964766) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylpropyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylpropyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID78964766
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[(2-hydroxy-2-methylpropyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCN(CC(C)(C)O)c1nc2c(cc1C#N)CCC2
InChIInChI=1S/C14H19N3O/c1-14(2,18)9-17(3)13-11(8-15)7-10-5-4-6-12(10)16-13/h7,18H,4-6,9H2,1-3H3
InChIKeyLAGCTDHZFKGQKW-UHFFFAOYSA-N
XLogP1.65
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 78964766) is 2-[(2-hydroxy-2-methylpropyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is CN(CC(C)(C)O)c1nc2c(cc1C#N)CCC2.
What is the InChIKey of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is LAGCTDHZFKGQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(2,18)9-17(3)13-11(8-15)7-10-5-4-6-12(10)16-13/h7,18H,4-6,9H2,1-3H3.
What are the key properties of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[(2-hydroxy-2-methylpropyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 78964766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).