2,3-dimethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1H-indole-5-carboxamide

C20H21N3O2 — CID 46434037

IUPAC2,3-dimethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1H-indole-5-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1C
InChIInChI=1S/C20H21N3O2/c1-11-13(3)22-18-9-8-14(10-16(11)18)19(24)23-17-7-5-6-15(12(17)2)20(25)21-4/h5-10,22H,1-4H3,(H,21,25)(H,23,24)
InChIKeyKXQMMMAOXDGINA-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.71
Rot. Bonds3

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

2,3-dimethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1H-indole-5-carboxamide (PubChem CID 46434037) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2,3-dimethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1H-indole-5-carboxamide
PubChem CID46434037
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2,3-dimethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1H-indole-5-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1C
InChIInChI=1S/C20H21N3O2/c1-11-13(3)22-18-9-8-14(10-16(11)18)19(24)23-17-7-5-6-15(12(17)2)20(25)21-4/h5-10,22H,1-4H3,(H,21,25)(H,23,24)
InChIKeyKXQMMMAOXDGINA-UHFFFAOYSA-N
XLogP3.71
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(2-iodophenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 26581665
N-(2-benzylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 4785719
2,3-dimethyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1H-indole-5-carboxamide
CID 55736357
N-(3-fluorophenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 26579048
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]benzoic acid
CID 23474692
N-[2-methyl-3-(methylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 131905924
3-[(4-ethylbenzoyl)amino]-N,2-dimethylbenzamide
CID 46461694
N-(6-bromo-2-pyridinyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 43520459
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 43073972
2,3-dimethyl-N-(2-prop-2-enylsulfanylphenyl)-1H-indole-5-carboxamide
CID 46636880
N-[3-(dimethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 30378480
N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide
CID 78911937

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1H-indole-5-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1H-indole-5-carboxamide (CID 46434037) is 2,3-dimethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1H-indole-5-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1H-indole-5-carboxamide is CNC(=O)c1cccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1C.
What is the InChIKey of 2,3-dimethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1H-indole-5-carboxamide?
The InChIKey is KXQMMMAOXDGINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-11-13(3)22-18-9-8-14(10-16(11)18)19(24)23-17-7-5-6-15(12(17)2)20(25)21-4/h5-10,22H,1-4H3,(H,21,25)(H,23,24).
What are the key properties of 2,3-dimethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1H-indole-5-carboxamide?
2,3-dimethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1H-indole-5-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.71, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 46434037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).