4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxamide

C19H23N5O2 — CID 167951502

IUPAC4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1
InChIInChI=1S/C19H23N5O2/c20-17(25)14-9-21-7-5-15(14)24-10-13-2-1-6-19(13,11-24)18-22-16(23-26-18)8-12-3-4-12/h5,7,9,12-13H,1-4,6,8,10-11H2,(H2,20,25)/t13-,19-/m1/s1
InChIKeySKBIFMSDYXBOJE-BFUOFWGJSA-N
MW353.43 g/mol
LogP2.07
Rot. Bonds5

About 4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxamide

4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxamide (PubChem CID 167951502) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxamide
PubChem CID167951502
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1
InChIInChI=1S/C19H23N5O2/c20-17(25)14-9-21-7-5-15(14)24-10-13-2-1-6-19(13,11-24)18-22-16(23-26-18)8-12-3-4-12/h5,7,9,12-13H,1-4,6,8,10-11H2,(H2,20,25)/t13-,19-/m1/s1
InChIKeySKBIFMSDYXBOJE-BFUOFWGJSA-N
XLogP2.07
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxamide (CID 167951502) is 4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxamide is NC(=O)c1cnccc1N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1.
What is the InChIKey of 4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxamide?
The InChIKey is SKBIFMSDYXBOJE-BFUOFWGJSA-N. The full InChI is InChI=1S/C19H23N5O2/c20-17(25)14-9-21-7-5-15(14)24-10-13-2-1-6-19(13,11-24)18-22-16(23-26-18)8-12-3-4-12/h5,7,9,12-13H,1-4,6,8,10-11H2,(H2,20,25)/t13-,19-/m1/s1.
What are the key properties of 4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxamide?
4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 167951502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).