(3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C24H25N3O3 — CID 95098793

IUPAC(3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCN4C(=O)C3CC3)C2)c1
InChIInChI=1S/C24H25N3O3/c1-15-3-2-4-19(11-15)25-23(29)18-13-22(28)27(14-18)20-7-8-21-17(12-20)9-10-26(21)24(30)16-5-6-16/h2-4,7-8,11-12,16,18H,5-6,9-10,13-14H2,1H3,(H,25,29)/t18-/m1/s1
InChIKeyLNNDXJKTVVAFHB-GOSISDBHSA-N
MW403.48 g/mol
LogP3.29
Rot. Bonds4

About (3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 95098793) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is (3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID95098793
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name(3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCN4C(=O)C3CC3)C2)c1
InChIInChI=1S/C24H25N3O3/c1-15-3-2-4-19(11-15)25-23(29)18-13-22(28)27(14-18)20-7-8-21-17(12-20)9-10-26(21)24(30)16-5-6-16/h2-4,7-8,11-12,16,18H,5-6,9-10,13-14H2,1H3,(H,25,29)/t18-/m1/s1
InChIKeyLNNDXJKTVVAFHB-GOSISDBHSA-N
XLogP3.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098694
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155837
1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155872
(3S)-1-(3-acetamidophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727129
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 878925
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 53155840
(3R)-N-[(2S)-butan-2-yl]-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 95098696
(3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 95098736
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098497
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 53155815
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155646
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098431

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 95098793) is (3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCN4C(=O)C3CC3)C2)c1.
What is the InChIKey of (3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LNNDXJKTVVAFHB-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-15-3-2-4-19(11-15)25-23(29)18-13-22(28)27(14-18)20-7-8-21-17(12-20)9-10-26(21)24(30)16-5-6-16/h2-4,7-8,11-12,16,18H,5-6,9-10,13-14H2,1H3,(H,25,29)/t18-/m1/s1.
What are the key properties of (3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95098793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).