5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide

C21H23N3O2 — CID 36868472

IUPAC5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NCc3cccc(NC(=O)C(C)C)c3)cc2c1
InChIInChI=1S/C21H23N3O2/c1-13(2)20(25)23-17-6-4-5-15(10-17)12-22-21(26)19-11-16-9-14(3)7-8-18(16)24-19/h4-11,13,24H,12H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyQKGRYPRXLNKLHM-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.00
Rot. Bonds5

About 5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide

5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide (PubChem CID 36868472) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide
PubChem CID36868472
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NCc3cccc(NC(=O)C(C)C)c3)cc2c1
InChIInChI=1S/C21H23N3O2/c1-13(2)20(25)23-17-6-4-5-15(10-17)12-22-21(26)19-11-16-9-14(3)7-8-18(16)24-19/h4-11,13,24H,12H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyQKGRYPRXLNKLHM-UHFFFAOYSA-N
XLogP4.00
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide
CID 46558117
5-methyl-N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 46475216
5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922
N-[[4-(methanesulfonamido)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide
CID 47057856
5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 7322431
ethyl N-[[3-(2-methylpropanoylamino)phenyl]methyl]carbamate
CID 60727389
N-(2-hydroxyethyl)-5-methyl-1H-indole-2-carboxamide
CID 89488958
N-[(3-chlorophenyl)methyl]-5-fluoro-1H-indole-2-carboxamide
CID 21014514
3-chloro-2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]propanamide
CID 62728650
1,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 34595492
N-benzyl-5-[[2-(4-fluorophenyl)acetyl]amino]-1H-indole-2-carboxamide
CID 83289806
N-[[3-(butanoylamino)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 60515084

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide (CID 36868472) is 5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)NCc3cccc(NC(=O)C(C)C)c3)cc2c1.
What is the InChIKey of 5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide?
The InChIKey is QKGRYPRXLNKLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-13(2)20(25)23-17-6-4-5-15(10-17)12-22-21(26)19-11-16-9-14(3)7-8-18(16)24-19/h4-11,13,24H,12H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of 5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide?
5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.00, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 36868472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).