1-(1-benzylindole-2-carbonyl)pyrrolidine-2-carboxamide

C21H21N3O2 — CID 56726565

IUPAC1-(1-benzylindole-2-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)c1cc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C21H21N3O2/c22-20(25)18-11-6-12-23(18)21(26)19-13-16-9-4-5-10-17(16)24(19)14-15-7-2-1-3-8-15/h1-5,7-10,13,18H,6,11-12,14H2,(H2,22,25)
InChIKeyPGZXNUXGHFWRML-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.78
Rot. Bonds4

About 1-(1-benzylindole-2-carbonyl)pyrrolidine-2-carboxamide

1-(1-benzylindole-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 56726565) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-(1-benzylindole-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(1-benzylindole-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID56726565
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-(1-benzylindole-2-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)c1cc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C21H21N3O2/c22-20(25)18-11-6-12-23(18)21(26)19-13-16-9-4-5-10-17(16)24(19)14-15-7-2-1-3-8-15/h1-5,7-10,13,18H,6,11-12,14H2,(H2,22,25)
InChIKeyPGZXNUXGHFWRML-UHFFFAOYSA-N
XLogP2.78
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(1-benzylindole-2-carbonyl)pyrrolidine-3-carboxamide
CID 94512799
(1-benzylindol-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 71893736
1-benzyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]indole-2-carboxamide
CID 56544766
1-[4-(1-benzylindole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 29140119
1-(3-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 11492936
2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid
CID 43396532
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
(2S)-1-[3-benzyl-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carbonyl]pyrrolidine-2-carboxamide
CID 42170662
1-[(3-chlorophenyl)methyl]indole-2-carboxylic acid
CID 22310877
1-[4-(1-benzylindole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one
CID 55923290
1-benzyl-N-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide
CID 86877683
ethyl 4-[(1-benzylindole-2-carbonyl)amino]piperidine-1-carboxylate
CID 46491360

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylindole-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(1-benzylindole-2-carbonyl)pyrrolidine-2-carboxamide (CID 56726565) is 1-(1-benzylindole-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(1-benzylindole-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(1-benzylindole-2-carbonyl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C(=O)c1cc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-(1-benzylindole-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is PGZXNUXGHFWRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c22-20(25)18-11-6-12-23(18)21(26)19-13-16-9-4-5-10-17(16)24(19)14-15-7-2-1-3-8-15/h1-5,7-10,13,18H,6,11-12,14H2,(H2,22,25).
What are the key properties of 1-(1-benzylindole-2-carbonyl)pyrrolidine-2-carboxamide?
1-(1-benzylindole-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylindole-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56726565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).