2,5,6-trimethyl-N-(4-methylphenyl)-1H-indole-3-carboxamide

C19H20N2O — CID 135016973

IUPAC2,5,6-trimethyl-N-(4-methylphenyl)-1H-indole-3-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)[nH]c3cc(C)c(C)cc23)cc1
InChIInChI=1S/C19H20N2O/c1-11-5-7-15(8-6-11)21-19(22)18-14(4)20-17-10-13(3)12(2)9-16(17)18/h5-10,20H,1-4H3,(H,21,22)
InChIKeyIKUCVQDLKFWZAB-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.65
Rot. Bonds2

About 2,5,6-trimethyl-N-(4-methylphenyl)-1H-indole-3-carboxamide

2,5,6-trimethyl-N-(4-methylphenyl)-1H-indole-3-carboxamide (PubChem CID 135016973) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 2,5,6-trimethyl-N-(4-methylphenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2,5,6-trimethyl-N-(4-methylphenyl)-1H-indole-3-carboxamide
PubChem CID135016973
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name2,5,6-trimethyl-N-(4-methylphenyl)-1H-indole-3-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)[nH]c3cc(C)c(C)cc23)cc1
InChIInChI=1S/C19H20N2O/c1-11-5-7-15(8-6-11)21-19(22)18-14(4)20-17-10-13(3)12(2)9-16(17)18/h5-10,20H,1-4H3,(H,21,22)
InChIKeyIKUCVQDLKFWZAB-UHFFFAOYSA-N
XLogP4.65
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-(4-methylphenyl)-5-nitro-1H-indole-3-carboxamide
CID 135016971
2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide
CID 24676897
6-fluoro-N-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110860042
5-fluoro-2-methyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1H-indole-3-carboxamide
CID 110613684
5-carbamimidoyl-2-methyl-N-(4-phenylphenyl)-1H-indole-3-carboxamide
CID 70068069
N-(4-acetamidophenyl)-2,4-dimethyl-1H-indole-3-carboxamide
CID 110861432
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
1-(2,6-dimethyl-1H-indol-3-yl)ethanone
CID 51342127
1-N,5-N,2,4,6-pentamethyl-3-N-(4-methylphenyl)benzene-1,3,5-tricarboxamide
CID 146600216
N-(4-fluorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 46669157
2,6-dichloro-N-(4-methylphenyl)benzamide
CID 5152296
methyl 2,6-dimethyl-1H-indole-3-carboxylate
CID 74890490

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-N-(4-methylphenyl)-1H-indole-3-carboxamide?
The IUPAC name of 2,5,6-trimethyl-N-(4-methylphenyl)-1H-indole-3-carboxamide (CID 135016973) is 2,5,6-trimethyl-N-(4-methylphenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 2,5,6-trimethyl-N-(4-methylphenyl)-1H-indole-3-carboxamide?
The canonical SMILES for 2,5,6-trimethyl-N-(4-methylphenyl)-1H-indole-3-carboxamide is Cc1ccc(NC(=O)c2c(C)[nH]c3cc(C)c(C)cc23)cc1.
What is the InChIKey of 2,5,6-trimethyl-N-(4-methylphenyl)-1H-indole-3-carboxamide?
The InChIKey is IKUCVQDLKFWZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-11-5-7-15(8-6-11)21-19(22)18-14(4)20-17-10-13(3)12(2)9-16(17)18/h5-10,20H,1-4H3,(H,21,22).
What are the key properties of 2,5,6-trimethyl-N-(4-methylphenyl)-1H-indole-3-carboxamide?
2,5,6-trimethyl-N-(4-methylphenyl)-1H-indole-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 4.65, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-N-(4-methylphenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 135016973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).