1-(2-acetyl-1H-indole-3-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide

C19H21N3O3 — CID 166262737

IUPAC1-(2-acetyl-1H-indole-3-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESCC(=O)c1[nH]c2ccccc2c1C(=O)N1CCCC1C(=O)NC1CC1
InChIInChI=1S/C19H21N3O3/c1-11(23)17-16(13-5-2-3-6-14(13)21-17)19(25)22-10-4-7-15(22)18(24)20-12-8-9-12/h2-3,5-6,12,15,21H,4,7-10H2,1H3,(H,20,24)
InChIKeyKWLFTWTXACUHIA-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.25
Rot. Bonds4

About 1-(2-acetyl-1H-indole-3-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide

1-(2-acetyl-1H-indole-3-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 166262737) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-(2-acetyl-1H-indole-3-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-acetyl-1H-indole-3-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide
PubChem CID166262737
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name1-(2-acetyl-1H-indole-3-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESCC(=O)c1[nH]c2ccccc2c1C(=O)N1CCCC1C(=O)NC1CC1
InChIInChI=1S/C19H21N3O3/c1-11(23)17-16(13-5-2-3-6-14(13)21-17)19(25)22-10-4-7-15(22)18(24)20-12-8-9-12/h2-3,5-6,12,15,21H,4,7-10H2,1H3,(H,20,24)
InChIKeyKWLFTWTXACUHIA-UHFFFAOYSA-N
XLogP2.25
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxamide
CID 78850429
N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide
CID 47158357
N-cyclopropyl-1-[2-(1H-indol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 86924365
(2R)-1-(2-methyl-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922406
N-cyclopropyl-1-[2-(methylamino)benzoyl]pyrrolidine-2-carboxamide
CID 61378639
(2S)-1-(2-bromobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 93318065
1-(2-aminobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 60950947
(2S)-1-acetyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 143443492
N-cyclopropyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47164597
N-cyclopropyl-1-(3-iodobenzoyl)pyrrolidine-2-carboxamide
CID 47158356
N-cyclopropyl-1-(2,3-dimethylbenzoyl)pyrrolidine-2-carboxamide
CID 78857677
1-(1H-indole-3-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 60958469

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-1H-indole-3-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-acetyl-1H-indole-3-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide (CID 166262737) is 1-(2-acetyl-1H-indole-3-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-acetyl-1H-indole-3-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-acetyl-1H-indole-3-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide is CC(=O)c1[nH]c2ccccc2c1C(=O)N1CCCC1C(=O)NC1CC1.
What is the InChIKey of 1-(2-acetyl-1H-indole-3-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is KWLFTWTXACUHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-11(23)17-16(13-5-2-3-6-14(13)21-17)19(25)22-10-4-7-15(22)18(24)20-12-8-9-12/h2-3,5-6,12,15,21H,4,7-10H2,1H3,(H,20,24).
What are the key properties of 1-(2-acetyl-1H-indole-3-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide?
1-(2-acetyl-1H-indole-3-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyl-1H-indole-3-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 166262737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).