2-[(4-cyano-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]-N-(3-methoxyphenyl)acetamide

C21H23N3O3 — CID 39354508

IUPAC2-[(4-cyano-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)COc2nc(C(C)C)c3c(c2C#N)CCC3)c1
InChIInChI=1S/C21H23N3O3/c1-13(2)20-17-9-5-8-16(17)18(11-22)21(24-20)27-12-19(25)23-14-6-4-7-15(10-14)26-3/h4,6-7,10,13H,5,8-9,12H2,1-3H3,(H,23,25)
InChIKeyGFHJZDSEDRVTGU-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.59
Rot. Bonds6

About 2-[(4-cyano-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]-N-(3-methoxyphenyl)acetamide

2-[(4-cyano-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]-N-(3-methoxyphenyl)acetamide (PubChem CID 39354508) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[(4-cyano-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-cyano-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]-N-(3-methoxyphenyl)acetamide
PubChem CID39354508
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-[(4-cyano-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)COc2nc(C(C)C)c3c(c2C#N)CCC3)c1
InChIInChI=1S/C21H23N3O3/c1-13(2)20-17-9-5-8-16(17)18(11-22)21(24-20)27-12-19(25)23-14-6-4-7-15(10-14)26-3/h4,6-7,10,13H,5,8-9,12H2,1-3H3,(H,23,25)
InChIKeyGFHJZDSEDRVTGU-UHFFFAOYSA-N
XLogP3.59
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)propanamide
CID 23746060
N-[1-(4-cyanophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 55583010
2-(3-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 2709796
2-(2-bromophenoxy)-N-(3-methoxyphenyl)acetamide
CID 729437
2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methoxyphenyl)acetamide
CID 103756161
2-(3-ethoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 112977809
4-hydroxy-N-(3-methoxyphenyl)pentanamide
CID 79017987
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
N-[3-[[2-(3-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 87016346
N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713816
N-(3-methoxyphenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 731174

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[(4-cyano-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]-N-(3-methoxyphenyl)acetamide (CID 39354508) is 2-[(4-cyano-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-cyano-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-cyano-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)COc2nc(C(C)C)c3c(c2C#N)CCC3)c1.
What is the InChIKey of 2-[(4-cyano-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]-N-(3-methoxyphenyl)acetamide?
The InChIKey is GFHJZDSEDRVTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13(2)20-17-9-5-8-16(17)18(11-22)21(24-20)27-12-19(25)23-14-6-4-7-15(10-14)26-3/h4,6-7,10,13H,5,8-9,12H2,1-3H3,(H,23,25).
What are the key properties of 2-[(4-cyano-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]-N-(3-methoxyphenyl)acetamide?
2-[(4-cyano-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]-N-(3-methoxyphenyl)acetamide has a molecular weight of 365.43 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 39354508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).