N-[2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-5-methylpyridine-3-carboxamide

C20H25N5O4 — CID 171144762

IUPACN-[2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-5-methylpyridine-3-carboxamide
SMILESCOCC(=O)N1CC2CC(NC(=O)c3cncc(C)c3)CC2(c2nc(C)no2)C1
InChIInChI=1S/C20H25N5O4/c1-12-4-14(8-21-7-12)18(27)23-16-5-15-9-25(17(26)10-28-3)11-20(15,6-16)19-22-13(2)24-29-19/h4,7-8,15-16H,5-6,9-11H2,1-3H3,(H,23,27)
InChIKeyVFGNGWBITVJCKR-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.02
Rot. Bonds5

About N-[2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-5-methylpyridine-3-carboxamide

N-[2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-5-methylpyridine-3-carboxamide (PubChem CID 171144762) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-5-methylpyridine-3-carboxamide
PubChem CID171144762
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC NameN-[2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-5-methylpyridine-3-carboxamide
SMILESCOCC(=O)N1CC2CC(NC(=O)c3cncc(C)c3)CC2(c2nc(C)no2)C1
InChIInChI=1S/C20H25N5O4/c1-12-4-14(8-21-7-12)18(27)23-16-5-15-9-25(17(26)10-28-3)11-20(15,6-16)19-22-13(2)24-29-19/h4,7-8,15-16H,5-6,9-11H2,1-3H3,(H,23,27)
InChIKeyVFGNGWBITVJCKR-UHFFFAOYSA-N
XLogP1.02
TPSA110.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-5-methylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-5-methylpyridine-3-carboxamide (CID 171144762) is N-[2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-5-methylpyridine-3-carboxamide is COCC(=O)N1CC2CC(NC(=O)c3cncc(C)c3)CC2(c2nc(C)no2)C1.
What is the InChIKey of N-[2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-5-methylpyridine-3-carboxamide?
The InChIKey is VFGNGWBITVJCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-12-4-14(8-21-7-12)18(27)23-16-5-15-9-25(17(26)10-28-3)11-20(15,6-16)19-22-13(2)24-29-19/h4,7-8,15-16H,5-6,9-11H2,1-3H3,(H,23,27).
What are the key properties of N-[2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-5-methylpyridine-3-carboxamide?
N-[2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-5-methylpyridine-3-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 171144762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).