5-(7H-cyclopenta[b]pyridin-5-yl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine

C16H13N5O — CID 58338473

IUPAC5-(7H-cyclopenta[b]pyridin-5-yl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESC1=C(c2nnc(NCc3cccnc3)o2)c2cccnc2C1
InChIInChI=1S/C16H13N5O/c1-3-11(9-17-7-1)10-19-16-21-20-15(22-16)13-5-6-14-12(13)4-2-8-18-14/h1-5,7-9H,6,10H2,(H,19,21)
InChIKeyIEOPKXLEKOGUHB-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.46
Rot. Bonds4

About 5-(7H-cyclopenta[b]pyridin-5-yl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine

5-(7H-cyclopenta[b]pyridin-5-yl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 58338473) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-(7H-cyclopenta[b]pyridin-5-yl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(7H-cyclopenta[b]pyridin-5-yl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID58338473
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name5-(7H-cyclopenta[b]pyridin-5-yl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESC1=C(c2nnc(NCc3cccnc3)o2)c2cccnc2C1
InChIInChI=1S/C16H13N5O/c1-3-11(9-17-7-1)10-19-16-21-20-15(22-16)13-5-6-14-12(13)4-2-8-18-14/h1-5,7-9H,6,10H2,(H,19,21)
InChIKeyIEOPKXLEKOGUHB-UHFFFAOYSA-N
XLogP2.46
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(7H-cyclopenta[b]pyridin-5-yl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(7H-cyclopenta[b]pyridin-5-yl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 58338473) is 5-(7H-cyclopenta[b]pyridin-5-yl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(7H-cyclopenta[b]pyridin-5-yl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(7H-cyclopenta[b]pyridin-5-yl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine is C1=C(c2nnc(NCc3cccnc3)o2)c2cccnc2C1.
What is the InChIKey of 5-(7H-cyclopenta[b]pyridin-5-yl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is IEOPKXLEKOGUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-3-11(9-17-7-1)10-19-16-21-20-15(22-16)13-5-6-14-12(13)4-2-8-18-14/h1-5,7-9H,6,10H2,(H,19,21).
What are the key properties of 5-(7H-cyclopenta[b]pyridin-5-yl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-(7H-cyclopenta[b]pyridin-5-yl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 291.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7H-cyclopenta[b]pyridin-5-yl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 58338473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).