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

C22H23N3O2 — CID 51120858

IUPAC1-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]indole-3-carboxamide
SMILESCn1cc(C(=O)NCc2cccc(C(=O)N3CCCC3)c2)c2ccccc21
InChIInChI=1S/C22H23N3O2/c1-24-15-19(18-9-2-3-10-20(18)24)21(26)23-14-16-7-6-8-17(13-16)22(27)25-11-4-5-12-25/h2-3,6-10,13,15H,4-5,11-12,14H2,1H3,(H,23,26)
InChIKeyDMIJGRPIMGYZPL-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.34
Rot. Bonds4

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

1-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]indole-3-carboxamide (PubChem CID 51120858) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]indole-3-carboxamide
PubChem CID51120858
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name1-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]indole-3-carboxamide
SMILESCn1cc(C(=O)NCc2cccc(C(=O)N3CCCC3)c2)c2ccccc21
InChIInChI=1S/C22H23N3O2/c1-24-15-19(18-9-2-3-10-20(18)24)21(26)23-14-16-7-6-8-17(13-16)22(27)25-11-4-5-12-25/h2-3,6-10,13,15H,4-5,11-12,14H2,1H3,(H,23,26)
InChIKeyDMIJGRPIMGYZPL-UHFFFAOYSA-N
XLogP3.34
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
2-anilino-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 55722118
1-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]indole-3-carboxamide
CID 34640881
2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 55961993
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(3-bromophenyl)-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]methanone
CID 29139468
1-benzyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075884
1-methyl-6-oxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-3-carboxamide
CID 55722187
3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46467040
4-propan-2-ylsulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 47057188
N-ethyl-1-methylindole-3-carboxamide
CID 25348690

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]indole-3-carboxamide?
The IUPAC name of 1-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]indole-3-carboxamide (CID 51120858) is 1-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]indole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]indole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]indole-3-carboxamide is Cn1cc(C(=O)NCc2cccc(C(=O)N3CCCC3)c2)c2ccccc21.
What is the InChIKey of 1-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]indole-3-carboxamide?
The InChIKey is DMIJGRPIMGYZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-24-15-19(18-9-2-3-10-20(18)24)21(26)23-14-16-7-6-8-17(13-16)22(27)25-11-4-5-12-25/h2-3,6-10,13,15H,4-5,11-12,14H2,1H3,(H,23,26).
What are the key properties of 1-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]indole-3-carboxamide?
1-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]indole-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]indole-3-carboxamide is sourced from PubChem (CID 51120858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).