5-[[[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

C14H21N5O3 — CID 162638100

IUPAC5-[[[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CN(C)[C@H]2C[C@H]3CC(=O)NC[C@H]3C2)n1
InChIInChI=1S/C14H21N5O3/c1-15-14(21)13-17-12(22-18-13)7-19(2)10-3-8-5-11(20)16-6-9(8)4-10/h8-10H,3-7H2,1-2H3,(H,15,21)(H,16,20)/t8-,9+,10-/m0/s1
InChIKeyCAULDNDPLBOGQP-AEJSXWLSSA-N
MW307.35 g/mol
LogP-0.22
Rot. Bonds4

About 5-[[[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

5-[[[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 162638100) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-[[[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[[[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID162638100
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name5-[[[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CN(C)[C@H]2C[C@H]3CC(=O)NC[C@H]3C2)n1
InChIInChI=1S/C14H21N5O3/c1-15-14(21)13-17-12(22-18-13)7-19(2)10-3-8-5-11(20)16-6-9(8)4-10/h8-10H,3-7H2,1-2H3,(H,15,21)(H,16,20)/t8-,9+,10-/m0/s1
InChIKeyCAULDNDPLBOGQP-AEJSXWLSSA-N
XLogP-0.22
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[[[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (CID 162638100) is 5-[[[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[[[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[[[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc(CN(C)[C@H]2C[C@H]3CC(=O)NC[C@H]3C2)n1.
What is the InChIKey of 5-[[[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is CAULDNDPLBOGQP-AEJSXWLSSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-15-14(21)13-17-12(22-18-13)7-19(2)10-3-8-5-11(20)16-6-9(8)4-10/h8-10H,3-7H2,1-2H3,(H,15,21)(H,16,20)/t8-,9+,10-/m0/s1.
What are the key properties of 5-[[[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
5-[[[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 162638100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).