1-benzyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]indole-2-carboxamide

C24H26N4O3 — CID 56544766

IUPAC1-benzyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]indole-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CNC(=O)c1cc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C24H26N4O3/c1-25-23(30)20-12-7-13-27(20)22(29)15-26-24(31)21-14-18-10-5-6-11-19(18)28(21)16-17-8-3-2-4-9-17/h2-6,8-11,14,20H,7,12-13,15-16H2,1H3,(H,25,30)(H,26,31)
InChIKeyQDNQBYWOZSLGKB-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.16
Rot. Bonds6

About 1-benzyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]indole-2-carboxamide

1-benzyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]indole-2-carboxamide (PubChem CID 56544766) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-benzyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]indole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]indole-2-carboxamide
PubChem CID56544766
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name1-benzyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]indole-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CNC(=O)c1cc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C24H26N4O3/c1-25-23(30)20-12-7-13-27(20)22(29)15-26-24(31)21-14-18-10-5-6-11-19(18)28(21)16-17-8-3-2-4-9-17/h2-6,8-11,14,20H,7,12-13,15-16H2,1H3,(H,25,30)(H,26,31)
InChIKeyQDNQBYWOZSLGKB-UHFFFAOYSA-N
XLogP2.16
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzylindole-2-carbonyl)pyrrolidine-2-carboxamide
CID 56726565
N-methyl-1-[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]acetyl]pyrrolidine-2-carboxamide
CID 56533854
N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 56533945
methyl 4-[[2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]benzoate
CID 95273963
1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 47085421
N-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 119032269
1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpyrrolidine-2-carboxamide
CID 61164772
(2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide
CID 71346691
1-(benzenesulfonyl)-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]piperidine-3-carboxamide
CID 56544322
N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 56544190
3-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 56534262
1-[2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 119051827

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]indole-2-carboxamide?
The IUPAC name of 1-benzyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]indole-2-carboxamide (CID 56544766) is 1-benzyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]indole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]indole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]indole-2-carboxamide is CNC(=O)C1CCCN1C(=O)CNC(=O)c1cc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]indole-2-carboxamide?
The InChIKey is QDNQBYWOZSLGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-25-23(30)20-12-7-13-27(20)22(29)15-26-24(31)21-14-18-10-5-6-11-19(18)28(21)16-17-8-3-2-4-9-17/h2-6,8-11,14,20H,7,12-13,15-16H2,1H3,(H,25,30)(H,26,31).
What are the key properties of 1-benzyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]indole-2-carboxamide?
1-benzyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]indole-2-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]indole-2-carboxamide is sourced from PubChem (CID 56544766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).