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

C21H24N2O2 — CID 163306021

IUPACN-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-naphthalen-2-ylacetamide
SMILESCN(C(=O)Cc1ccc2ccccc2c1)[C@H]1C[C@H]2CC(=O)NC[C@H]2C1
InChIInChI=1S/C21H24N2O2/c1-23(19-10-17-12-20(24)22-13-18(17)11-19)21(25)9-14-6-7-15-4-2-3-5-16(15)8-14/h2-8,17-19H,9-13H2,1H3,(H,22,24)/t17-,18+,19-/m0/s1
InChIKeyLOXFEJCIDQTWNG-OTWHNJEPSA-N
MW336.44 g/mol
LogP2.76
Rot. Bonds3

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

N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-naphthalen-2-ylacetamide (PubChem CID 163306021) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-naphthalen-2-ylacetamide
PubChem CID163306021
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-naphthalen-2-ylacetamide
SMILESCN(C(=O)Cc1ccc2ccccc2c1)[C@H]1C[C@H]2CC(=O)NC[C@H]2C1
InChIInChI=1S/C21H24N2O2/c1-23(19-10-17-12-20(24)22-13-18(17)11-19)21(25)9-14-6-7-15-4-2-3-5-16(15)8-14/h2-8,17-19H,9-13H2,1H3,(H,22,24)/t17-,18+,19-/m0/s1
InChIKeyLOXFEJCIDQTWNG-OTWHNJEPSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-naphthalen-2-ylacetamide with MolForge

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Related Compounds

N-methyl-2-naphthalen-2-yl-N-piperidin-4-ylacetamide
CID 43602192
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-3-(3-fluorophenyl)-N-methylpropanamide
CID 135090394
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-4-(4-chlorophenyl)-N-methylbutanamide
CID 135106919
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide
CID 135109820
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-phenylmethoxybenzamide
CID 135113679
2-[methyl-(2-naphthalen-2-ylacetyl)amino]acetic acid
CID 18071237
2-[[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-methylamino]-N-(2-phenylethyl)acetamide
CID 135102952
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-4-fluoro-3-hydroxy-N-methylbenzamide
CID 135099417
(4aR,6R,7aR)-6-[(6-ethoxy-3-pyridinyl)methyl-methylamino]-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one
CID 135093749
N-(2-aminoethyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 55149469
N-(2-bromoethyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 80658951
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-4-[methyl(methylsulfonyl)amino]benzamide
CID 135115784

Frequently Asked Questions

What is the IUPAC name of N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-naphthalen-2-ylacetamide (CID 163306021) is N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-naphthalen-2-ylacetamide is CN(C(=O)Cc1ccc2ccccc2c1)[C@H]1C[C@H]2CC(=O)NC[C@H]2C1.
What is the InChIKey of N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-naphthalen-2-ylacetamide?
The InChIKey is LOXFEJCIDQTWNG-OTWHNJEPSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-23(19-10-17-12-20(24)22-13-18(17)11-19)21(25)9-14-6-7-15-4-2-3-5-16(15)8-14/h2-8,17-19H,9-13H2,1H3,(H,22,24)/t17-,18+,19-/m0/s1.
What are the key properties of N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-naphthalen-2-ylacetamide?
N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-naphthalen-2-ylacetamide has a molecular weight of 336.44 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 163306021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).