1-methyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]indole-3-carboxamide

C21H22N4O2 — CID 55736422

IUPAC1-methyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]indole-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2NC(=O)N2CCCC2)c2ccccc21
InChIInChI=1S/C21H22N4O2/c1-24-14-16(15-8-2-5-11-19(15)24)20(26)22-17-9-3-4-10-18(17)23-21(27)25-12-6-7-13-25/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,22,26)(H,23,27)
InChIKeyNKCXOVUWBNEZPK-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.06
Rot. Bonds3

About 1-methyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]indole-3-carboxamide

1-methyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]indole-3-carboxamide (PubChem CID 55736422) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-methyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]indole-3-carboxamide
PubChem CID55736422
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-methyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]indole-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2NC(=O)N2CCCC2)c2ccccc21
InChIInChI=1S/C21H22N4O2/c1-24-14-16(15-8-2-5-11-19(15)24)20(26)22-17-9-3-4-10-18(17)23-21(27)25-12-6-7-13-25/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,22,26)(H,23,27)
InChIKeyNKCXOVUWBNEZPK-UHFFFAOYSA-N
XLogP4.06
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-3-carboxamide
CID 35358555
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
N-[2-(benzylcarbamoyl)phenyl]-1-methylindole-3-carboxamide
CID 24676596
CID 87065455
CID 87065455
N-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide
CID 40716876
1-[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805536
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
N-(2-acetylphenyl)pyrrolidine-1-carboxamide
CID 112724111
(3R,5S)-3,5-dimethyl-N-(1-methylindol-3-yl)piperidine-1-carboxamide
CID 42551679
N-(2-methoxy-5-methylphenyl)-1-methylindole-3-carboxamide
CID 9208634
1-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]indole-3-carboxamide
CID 51120858

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]indole-3-carboxamide?
The IUPAC name of 1-methyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]indole-3-carboxamide (CID 55736422) is 1-methyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]indole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]indole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]indole-3-carboxamide is Cn1cc(C(=O)Nc2ccccc2NC(=O)N2CCCC2)c2ccccc21.
What is the InChIKey of 1-methyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]indole-3-carboxamide?
The InChIKey is NKCXOVUWBNEZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-24-14-16(15-8-2-5-11-19(15)24)20(26)22-17-9-3-4-10-18(17)23-21(27)25-12-6-7-13-25/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 1-methyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]indole-3-carboxamide?
1-methyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]indole-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]indole-3-carboxamide is sourced from PubChem (CID 55736422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).