(4aR,7aR)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide

C17H20N4O3 — CID 136783606

IUPAC(4aR,7aR)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
SMILESO=C(Nc1ccc(-c2noc(=O)[nH]2)cc1)N1CCC[C@H]2CCC[C@H]21
InChIInChI=1S/C17H20N4O3/c22-16(21-10-2-4-11-3-1-5-14(11)21)18-13-8-6-12(7-9-13)15-19-17(23)24-20-15/h6-9,11,14H,1-5,10H2,(H,18,22)(H,19,20,23)/t11-,14-/m1/s1
InChIKeyGRCMQTGYGSDJIP-BXUZGUMPSA-N
MW328.37 g/mol
LogP2.83
Rot. Bonds2

About (4aR,7aR)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide

(4aR,7aR)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide (PubChem CID 136783606) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (4aR,7aR)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide.

Molecular Properties

Compound Name(4aR,7aR)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
PubChem CID136783606
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(4aR,7aR)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
SMILESO=C(Nc1ccc(-c2noc(=O)[nH]2)cc1)N1CCC[C@H]2CCC[C@H]21
InChIInChI=1S/C17H20N4O3/c22-16(21-10-2-4-11-3-1-5-14(11)21)18-13-8-6-12(7-9-13)15-19-17(23)24-20-15/h6-9,11,14H,1-5,10H2,(H,18,22)(H,19,20,23)/t11-,14-/m1/s1
InChIKeyGRCMQTGYGSDJIP-BXUZGUMPSA-N
XLogP2.83
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4aR,7aR)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)benzoic acid
CID 65319992
2-cyclopentyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-1-carboxamide
CID 87035105
2-cyclopentyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
CID 71939005
(4aR,7aS)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 97048352
(4aS,7aS)-6-methyl-N-[4-(5-oxo-4H-1,3,4-oxadiazin-2-yl)phenyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide
CID 167843153
(4aS,7aR)-N-(3-iodophenyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 96529176
(5aS,8aS)-N-(4-methylphenyl)-2,3,4,5a,6,7,8,8a-octahydrocyclopenta[b][1,4]oxazepine-5-carboxamide
CID 95770882
(2S,3R)-1-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide
CID 136950052
2-cyclohexyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-1-carboxamide
CID 71889554
2-cyclobutyl-N-(5-methyl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 71860746
(2R)-2-cyclobutyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide
CID 97185180
N-(4-bromophenyl)-2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 4239791

Frequently Asked Questions

What is the IUPAC name of (4aR,7aR)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide?
The IUPAC name of (4aR,7aR)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide (CID 136783606) is (4aR,7aR)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide.
What is the SMILES notation for (4aR,7aR)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide?
The canonical SMILES for (4aR,7aR)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide is O=C(Nc1ccc(-c2noc(=O)[nH]2)cc1)N1CCC[C@H]2CCC[C@H]21.
What is the InChIKey of (4aR,7aR)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide?
The InChIKey is GRCMQTGYGSDJIP-BXUZGUMPSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-16(21-10-2-4-11-3-1-5-14(11)21)18-13-8-6-12(7-9-13)15-19-17(23)24-20-15/h6-9,11,14H,1-5,10H2,(H,18,22)(H,19,20,23)/t11-,14-/m1/s1.
What are the key properties of (4aR,7aR)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide?
(4aR,7aR)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7aR)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide is sourced from PubChem (CID 136783606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).