1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile

C17H23N3O — CID 661667

IUPAC1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
SMILESCC(C)Cc1nc(N2CCOCC2)c(C#N)c2c1CCC2
InChIInChI=1S/C17H23N3O/c1-12(2)10-16-14-5-3-4-13(14)15(11-18)17(19-16)20-6-8-21-9-7-20/h12H,3-10H2,1-2H3
InChIKeyRWQPDHJLWOVRSO-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.48
Rot. Bonds3

About 1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile

1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile (PubChem CID 661667) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
PubChem CID661667
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
SMILESCC(C)Cc1nc(N2CCOCC2)c(C#N)c2c1CCC2
InChIInChI=1S/C17H23N3O/c1-12(2)10-16-14-5-3-4-13(14)15(11-18)17(19-16)20-6-8-21-9-7-20/h12H,3-10H2,1-2H3
InChIKeyRWQPDHJLWOVRSO-UHFFFAOYSA-N
XLogP2.48
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The IUPAC name of 1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile (CID 661667) is 1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.
What is the SMILES notation for 1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The canonical SMILES for 1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile is CC(C)Cc1nc(N2CCOCC2)c(C#N)c2c1CCC2.
What is the InChIKey of 1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The InChIKey is RWQPDHJLWOVRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12(2)10-16-14-5-3-4-13(14)15(11-18)17(19-16)20-6-8-21-9-7-20/h12H,3-10H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile has a molecular weight of 285.39 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile is sourced from PubChem (CID 661667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).