N-(2,3-dimethylphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide

C23H25N3O — CID 97361292

IUPACN-(2,3-dimethylphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc3c(c4ccccc4n3C)n2C(C)C)c1C
InChIInChI=1S/C23H25N3O/c1-14(2)26-21(23(27)24-18-11-8-9-15(3)16(18)4)13-20-22(26)17-10-6-7-12-19(17)25(20)5/h6-14H,1-5H3,(H,24,27)
InChIKeyFEWSWQADMKPZNN-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.58
Rot. Bonds3

About N-(2,3-dimethylphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide

N-(2,3-dimethylphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide (PubChem CID 97361292) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
PubChem CID97361292
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-(2,3-dimethylphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc3c(c4ccccc4n3C)n2C(C)C)c1C
InChIInChI=1S/C23H25N3O/c1-14(2)26-21(23(27)24-18-11-8-9-15(3)16(18)4)13-20-22(26)17-10-6-7-12-19(17)25(20)5/h6-14H,1-5H3,(H,24,27)
InChIKeyFEWSWQADMKPZNN-UHFFFAOYSA-N
XLogP5.58
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxyphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441819
N-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361339
N-(2,3-dimethylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694521
N-(2-fluorophenyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 20865243
4-methyl-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155833248
N-(2,4-difluorophenyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97385191
1-N,1-N,4-trimethyl-2-N-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97441822
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
1-(2,3-dimethylphenyl)-3-(2-propan-2-ylphenyl)urea
CID 108991425
1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050570
1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide
CID 24661406
N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide
CID 53169717

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide (CID 97361292) is N-(2,3-dimethylphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide is Cc1cccc(NC(=O)c2cc3c(c4ccccc4n3C)n2C(C)C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The InChIKey is FEWSWQADMKPZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-14(2)26-21(23(27)24-18-11-8-9-15(3)16(18)4)13-20-22(26)17-10-6-7-12-19(17)25(20)5/h6-14H,1-5H3,(H,24,27).
What are the key properties of N-(2,3-dimethylphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
N-(2,3-dimethylphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide is sourced from PubChem (CID 97361292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).