(3R)-N-(cyclopropylmethyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide

C20H25N3O3 — CID 95098669

IUPAC(3R)-N-(cyclopropylmethyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
SMILESCCC(=O)N1CCc2cc(N3C[C@H](C(=O)NCC4CC4)CC3=O)ccc21
InChIInChI=1S/C20H25N3O3/c1-2-18(24)22-8-7-14-9-16(5-6-17(14)22)23-12-15(10-19(23)25)20(26)21-11-13-3-4-13/h5-6,9,13,15H,2-4,7-8,10-12H2,1H3,(H,21,26)/t15-/m1/s1
InChIKeyZSZJDJHVEQPQQA-OAHLLOKOSA-N
MW355.44 g/mol
LogP1.86
Rot. Bonds5

About (3R)-N-(cyclopropylmethyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide

(3R)-N-(cyclopropylmethyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide (PubChem CID 95098669) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (3R)-N-(cyclopropylmethyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(cyclopropylmethyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
PubChem CID95098669
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(3R)-N-(cyclopropylmethyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
SMILESCCC(=O)N1CCc2cc(N3C[C@H](C(=O)NCC4CC4)CC3=O)ccc21
InChIInChI=1S/C20H25N3O3/c1-2-18(24)22-8-7-14-9-16(5-6-17(14)22)23-12-15(10-19(23)25)20(26)21-11-13-3-4-13/h5-6,9,13,15H,2-4,7-8,10-12H2,1H3,(H,21,26)/t15-/m1/s1
InChIKeyZSZJDJHVEQPQQA-OAHLLOKOSA-N
XLogP1.86
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-(cyclopropylmethyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide with MolForge

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Related Compounds

N-[(4-methylphenyl)methyl]-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 53155746
(3S)-N-[(3-methylphenyl)methyl]-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 95098686
(3S)-5-oxo-N-[(1R)-1-phenylethyl]-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 95098604
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 53155840
N-(2-chloro-4-methylphenyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 53155757
(3S)-N-(2-chloro-4-methylphenyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 95098606
(3R)-N-[(2S)-butan-2-yl]-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 95098696
5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 53200867
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-butan-2-yl-5-oxopyrrolidine-3-carboxamide
CID 53155620
(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-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 53155852
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 53155717

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(cyclopropylmethyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(cyclopropylmethyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide (CID 95098669) is (3R)-N-(cyclopropylmethyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(cyclopropylmethyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(cyclopropylmethyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide is CCC(=O)N1CCc2cc(N3C[C@H](C(=O)NCC4CC4)CC3=O)ccc21.
What is the InChIKey of (3R)-N-(cyclopropylmethyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is ZSZJDJHVEQPQQA-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-2-18(24)22-8-7-14-9-16(5-6-17(14)22)23-12-15(10-19(23)25)20(26)21-11-13-3-4-13/h5-6,9,13,15H,2-4,7-8,10-12H2,1H3,(H,21,26)/t15-/m1/s1.
What are the key properties of (3R)-N-(cyclopropylmethyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide?
(3R)-N-(cyclopropylmethyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(cyclopropylmethyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 95098669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).