2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C13H13N5O — CID 55207722

IUPAC2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCc1noc(CNc2nc3c(cc2C#N)CCC3)n1
InChIInChI=1S/C13H13N5O/c1-8-16-12(19-18-8)7-15-13-10(6-14)5-9-3-2-4-11(9)17-13/h5H,2-4,7H2,1H3,(H,15,17)
InChIKeyATTZFHJVKBTVQT-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.75
Rot. Bonds3

About 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 55207722) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID55207722
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCc1noc(CNc2nc3c(cc2C#N)CCC3)n1
InChIInChI=1S/C13H13N5O/c1-8-16-12(19-18-8)7-15-13-10(6-14)5-9-3-2-4-11(9)17-13/h5H,2-4,7H2,1H3,(H,15,17)
InChIKeyATTZFHJVKBTVQT-UHFFFAOYSA-N
XLogP1.75
TPSA87.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 55207722) is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is Cc1noc(CNc2nc3c(cc2C#N)CCC3)n1.
What is the InChIKey of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is ATTZFHJVKBTVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-8-16-12(19-18-8)7-15-13-10(6-14)5-9-3-2-4-11(9)17-13/h5H,2-4,7H2,1H3,(H,15,17).
What are the key properties of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 255.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 55207722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).