1-methyl-N-phenyl-3-(pyrrolidine-1-carbonyl)indole-2-carboxamide

C21H21N3O2 — CID 170721777

IUPAC1-methyl-N-phenyl-3-(pyrrolidine-1-carbonyl)indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccccc2)c(C(=O)N2CCCC2)c2ccccc21
InChIInChI=1S/C21H21N3O2/c1-23-17-12-6-5-11-16(17)18(21(26)24-13-7-8-14-24)19(23)20(25)22-15-9-3-2-4-10-15/h2-6,9-12H,7-8,13-14H2,1H3,(H,22,25)
InChIKeyJXHYRUSVZYIJLK-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.67
Rot. Bonds3

About 1-methyl-N-phenyl-3-(pyrrolidine-1-carbonyl)indole-2-carboxamide

1-methyl-N-phenyl-3-(pyrrolidine-1-carbonyl)indole-2-carboxamide (PubChem CID 170721777) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-methyl-N-phenyl-3-(pyrrolidine-1-carbonyl)indole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-phenyl-3-(pyrrolidine-1-carbonyl)indole-2-carboxamide
PubChem CID170721777
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-methyl-N-phenyl-3-(pyrrolidine-1-carbonyl)indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccccc2)c(C(=O)N2CCCC2)c2ccccc21
InChIInChI=1S/C21H21N3O2/c1-23-17-12-6-5-11-16(17)18(21(26)24-13-7-8-14-24)19(23)20(25)22-15-9-3-2-4-10-15/h2-6,9-12H,7-8,13-14H2,1H3,(H,22,25)
InChIKeyJXHYRUSVZYIJLK-UHFFFAOYSA-N
XLogP3.67
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285
2-amino-1-methyl-3-(piperidine-1-carbonyl)quinolin-4-one
CID 13143651
cyclopentyl-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]methanone
CID 110801629
4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54676449
4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532549
3-(tert-butylcarbamoyl)-1-methylindole-2-carboxylic acid
CID 117062276
1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 7087146
3-methoxy-1-methyl-N-(4-methylphenyl)indole-2-carboxamide
CID 14210891
1-[4-(3-bromo-1-methylindole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 47923606
methyl 4-(1,2-dimethylindole-3-carbonyl)piperazine-1-carboxylate
CID 110803299
[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815350
3-bromo-1-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide
CID 46435446

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-phenyl-3-(pyrrolidine-1-carbonyl)indole-2-carboxamide?
The IUPAC name of 1-methyl-N-phenyl-3-(pyrrolidine-1-carbonyl)indole-2-carboxamide (CID 170721777) is 1-methyl-N-phenyl-3-(pyrrolidine-1-carbonyl)indole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-phenyl-3-(pyrrolidine-1-carbonyl)indole-2-carboxamide?
The canonical SMILES for 1-methyl-N-phenyl-3-(pyrrolidine-1-carbonyl)indole-2-carboxamide is Cn1c(C(=O)Nc2ccccc2)c(C(=O)N2CCCC2)c2ccccc21.
What is the InChIKey of 1-methyl-N-phenyl-3-(pyrrolidine-1-carbonyl)indole-2-carboxamide?
The InChIKey is JXHYRUSVZYIJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-23-17-12-6-5-11-16(17)18(21(26)24-13-7-8-14-24)19(23)20(25)22-15-9-3-2-4-10-15/h2-6,9-12H,7-8,13-14H2,1H3,(H,22,25).
What are the key properties of 1-methyl-N-phenyl-3-(pyrrolidine-1-carbonyl)indole-2-carboxamide?
1-methyl-N-phenyl-3-(pyrrolidine-1-carbonyl)indole-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-phenyl-3-(pyrrolidine-1-carbonyl)indole-2-carboxamide is sourced from PubChem (CID 170721777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).