6-bromo-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide

C21H21BrN4O2 — CID 55983762

IUPAC6-bromo-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1cccc(NC(=O)c2cc3ccc(Br)cc3[nH]2)c1
InChIInChI=1S/C21H21BrN4O2/c22-15-7-6-14-10-18(25-17(14)11-15)21(28)24-16-4-1-3-13(9-16)12-26-8-2-5-19(26)20(23)27/h1,3-4,6-7,9-11,19,25H,2,5,8,12H2,(H2,23,27)(H,24,28)
InChIKeyYXHSZCVNTAQCJQ-UHFFFAOYSA-N
MW441.33 g/mol
LogP3.63
Rot. Bonds5

About 6-bromo-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide

6-bromo-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide (PubChem CID 55983762) has the molecular formula C21H21BrN4O2 and a molecular weight of 441.33 g/mol. Its IUPAC name is 6-bromo-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide
PubChem CID55983762
Molecular FormulaC21H21BrN4O2
Molecular Weight441.33 g/mol
Exact Mass440.08
IUPAC Name6-bromo-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1cccc(NC(=O)c2cc3ccc(Br)cc3[nH]2)c1
InChIInChI=1S/C21H21BrN4O2/c22-15-7-6-14-10-18(25-17(14)11-15)21(28)24-16-4-1-3-13(9-16)12-26-8-2-5-19(26)20(23)27/h1,3-4,6-7,9-11,19,25H,2,5,8,12H2,(H2,23,27)(H,24,28)
InChIKeyYXHSZCVNTAQCJQ-UHFFFAOYSA-N
XLogP3.63
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.33
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[[3-[(3,5-dimethylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52507478
6-(3-bromophenyl)-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-2-methylpyridine-3-carboxamide
CID 60560334
1-[[3-[[4-(difluoromethylsulfanyl)benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560118
(2S)-1-[[3-[(5-ethylfuran-2-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52730298
N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 60560386
1-[[3-(pyrrolidine-2-carbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119856251
1-[[3-[(2-amino-2-methylpentanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 119856274
1-[[3-[[3-(thiophene-2-carbonylamino)benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55984987
1-[[3-(hexanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide
CID 47068937
1-[[3-[(2,3,4-trimethoxybenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55985295
N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-phenylpyrazole-3-carboxamide
CID 60560463
1-[[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 47068938

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-bromo-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide (CID 55983762) is 6-bromo-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-bromo-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide is NC(=O)C1CCCN1Cc1cccc(NC(=O)c2cc3ccc(Br)cc3[nH]2)c1.
What is the InChIKey of 6-bromo-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide?
The InChIKey is YXHSZCVNTAQCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN4O2/c22-15-7-6-14-10-18(25-17(14)11-15)21(28)24-16-4-1-3-13(9-16)12-26-8-2-5-19(26)20(23)27/h1,3-4,6-7,9-11,19,25H,2,5,8,12H2,(H2,23,27)(H,24,28).
What are the key properties of 6-bromo-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide?
6-bromo-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide has a molecular weight of 441.33 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55983762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).