N-[5-[2-[(3aS)-5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethyl]-2-pyridinyl]acetamide

C23H29N3O2 — CID 144818980

IUPACN-[5-[2-[(3aS)-5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(CCN2CC3CC(O)(Cc4ccccc4)C[C@@H]3C2)cn1
InChIInChI=1S/C23H29N3O2/c1-17(27)25-22-8-7-19(14-24-22)9-10-26-15-20-12-23(28,13-21(20)16-26)11-18-5-3-2-4-6-18/h2-8,14,20-21,28H,9-13,15-16H2,1H3,(H,24,25,27)/t20-,21?,23?/m1/s1
InChIKeyYJXHFZPVDMTPRY-HVIUMASTSA-N
MW379.50 g/mol
LogP2.90
Rot. Bonds6

About N-[5-[2-[(3aS)-5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethyl]-2-pyridinyl]acetamide

N-[5-[2-[(3aS)-5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethyl]-2-pyridinyl]acetamide (PubChem CID 144818980) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[5-[2-[(3aS)-5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[2-[(3aS)-5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethyl]-2-pyridinyl]acetamide
PubChem CID144818980
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[5-[2-[(3aS)-5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(CCN2CC3CC(O)(Cc4ccccc4)C[C@@H]3C2)cn1
InChIInChI=1S/C23H29N3O2/c1-17(27)25-22-8-7-19(14-24-22)9-10-26-15-20-12-23(28,13-21(20)16-26)11-18-5-3-2-4-6-18/h2-8,14,20-21,28H,9-13,15-16H2,1H3,(H,24,25,27)/t20-,21?,23?/m1/s1
InChIKeyYJXHFZPVDMTPRY-HVIUMASTSA-N
XLogP2.90
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[(3aS)-5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[2-[(3aS)-5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethyl]-2-pyridinyl]acetamide (CID 144818980) is N-[5-[2-[(3aS)-5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[2-[(3aS)-5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[2-[(3aS)-5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethyl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(CCN2CC3CC(O)(Cc4ccccc4)C[C@@H]3C2)cn1.
What is the InChIKey of N-[5-[2-[(3aS)-5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethyl]-2-pyridinyl]acetamide?
The InChIKey is YJXHFZPVDMTPRY-HVIUMASTSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17(27)25-22-8-7-19(14-24-22)9-10-26-15-20-12-23(28,13-21(20)16-26)11-18-5-3-2-4-6-18/h2-8,14,20-21,28H,9-13,15-16H2,1H3,(H,24,25,27)/t20-,21?,23?/m1/s1.
What are the key properties of N-[5-[2-[(3aS)-5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethyl]-2-pyridinyl]acetamide?
N-[5-[2-[(3aS)-5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethyl]-2-pyridinyl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[(3aS)-5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 144818980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).