2-methoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C21H23N3O3 — CID 72883236

IUPAC2-methoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCOc1nc2c(cc1C(=O)NC1CC(=O)N(c3ccc(C)cc3)C1)CCC2
InChIInChI=1S/C21H23N3O3/c1-13-6-8-16(9-7-13)24-12-15(11-19(24)25)22-20(26)17-10-14-4-3-5-18(14)23-21(17)27-2/h6-10,15H,3-5,11-12H2,1-2H3,(H,22,26)
InChIKeyAAKHMMZOSGQTBO-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.42
Rot. Bonds4

About 2-methoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

2-methoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 72883236) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-methoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID72883236
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-methoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCOc1nc2c(cc1C(=O)NC1CC(=O)N(c3ccc(C)cc3)C1)CCC2
InChIInChI=1S/C21H23N3O3/c1-13-6-8-16(9-7-13)24-12-15(11-19(24)25)22-20(26)17-10-14-4-3-5-18(14)23-21(17)27-2/h6-10,15H,3-5,11-12H2,1-2H3,(H,22,26)
InChIKeyAAKHMMZOSGQTBO-UHFFFAOYSA-N
XLogP2.42
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 97129498
2,6-dimethyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]quinoline-4-carboxamide
CID 70721304
3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 18573314
4-methyl-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547112
5-chloro-2-methoxy-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548591
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
CID 16822138
N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 118770996
1-(4-methoxyphenyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513873
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide
CID 16822304
1-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 43969395
tert-butyl N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 122445967
5-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
CID 7255711

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 72883236) is 2-methoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is COc1nc2c(cc1C(=O)NC1CC(=O)N(c3ccc(C)cc3)C1)CCC2.
What is the InChIKey of 2-methoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is AAKHMMZOSGQTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-6-8-16(9-7-13)24-12-15(11-19(24)25)22-20(26)17-10-14-4-3-5-18(14)23-21(17)27-2/h6-10,15H,3-5,11-12H2,1-2H3,(H,22,26).
What are the key properties of 2-methoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
2-methoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 72883236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).