2-N-(3-methoxyphenyl)-1-N,1-N,4-trimethylpyrrolo[3,2-b]indole-1,2-dicarboxamide

C22H22N4O3 — CID 97441838

IUPAC2-N-(3-methoxyphenyl)-1-N,1-N,4-trimethylpyrrolo[3,2-b]indole-1,2-dicarboxamide
SMILESCOc1cccc(NC(=O)c2cc3c(c4ccccc4n3C)n2C(=O)N(C)C)c1
InChIInChI=1S/C22H22N4O3/c1-24(2)22(28)26-19(21(27)23-14-8-7-9-15(12-14)29-4)13-18-20(26)16-10-5-6-11-17(16)25(18)3/h5-13H,1-4H3,(H,23,27)
InChIKeyFCDPSHYBUCSSDN-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.92
Rot. Bonds3

About 2-N-(3-methoxyphenyl)-1-N,1-N,4-trimethylpyrrolo[3,2-b]indole-1,2-dicarboxamide

2-N-(3-methoxyphenyl)-1-N,1-N,4-trimethylpyrrolo[3,2-b]indole-1,2-dicarboxamide (PubChem CID 97441838) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-N-(3-methoxyphenyl)-1-N,1-N,4-trimethylpyrrolo[3,2-b]indole-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-methoxyphenyl)-1-N,1-N,4-trimethylpyrrolo[3,2-b]indole-1,2-dicarboxamide
PubChem CID97441838
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name2-N-(3-methoxyphenyl)-1-N,1-N,4-trimethylpyrrolo[3,2-b]indole-1,2-dicarboxamide
SMILESCOc1cccc(NC(=O)c2cc3c(c4ccccc4n3C)n2C(=O)N(C)C)c1
InChIInChI=1S/C22H22N4O3/c1-24(2)22(28)26-19(21(27)23-14-8-7-9-15(12-14)29-4)13-18-20(26)16-10-5-6-11-17(16)25(18)3/h5-13H,1-4H3,(H,23,27)
InChIKeyFCDPSHYBUCSSDN-UHFFFAOYSA-N
XLogP3.92
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N-(3-methoxyphenyl)-1-N,1-N,4-trimethylpyrrolo[3,2-b]indole-1,2-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-hydroxyphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441819
N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 19481236
1-N,1-N,4-trimethyl-2-N-(oxolan-2-ylmethyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 131659664
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylindole-2-carboxamide
CID 60529287
9-(2-methoxyethyl)-N-(3-methoxyphenyl)carbazole-2-carboxamide
CID 90731870
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
N-(3-methoxyphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 2809038
N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279593
5-methoxy-1-methyl-N-phenylindole-2-carboxamide
CID 10707870
N-(3-acetamidophenyl)-5-methoxy-1-methylindole-2-carboxamide
CID 110861255
4-[(3-methoxyphenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19623911
1-ethyl-4-hydroxy-N-(3-methoxyphenyl)-2-oxoquinoline-3-carboxamide
CID 54679068

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxyphenyl)-1-N,1-N,4-trimethylpyrrolo[3,2-b]indole-1,2-dicarboxamide?
The IUPAC name of 2-N-(3-methoxyphenyl)-1-N,1-N,4-trimethylpyrrolo[3,2-b]indole-1,2-dicarboxamide (CID 97441838) is 2-N-(3-methoxyphenyl)-1-N,1-N,4-trimethylpyrrolo[3,2-b]indole-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(3-methoxyphenyl)-1-N,1-N,4-trimethylpyrrolo[3,2-b]indole-1,2-dicarboxamide?
The canonical SMILES for 2-N-(3-methoxyphenyl)-1-N,1-N,4-trimethylpyrrolo[3,2-b]indole-1,2-dicarboxamide is COc1cccc(NC(=O)c2cc3c(c4ccccc4n3C)n2C(=O)N(C)C)c1.
What is the InChIKey of 2-N-(3-methoxyphenyl)-1-N,1-N,4-trimethylpyrrolo[3,2-b]indole-1,2-dicarboxamide?
The InChIKey is FCDPSHYBUCSSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-24(2)22(28)26-19(21(27)23-14-8-7-9-15(12-14)29-4)13-18-20(26)16-10-5-6-11-17(16)25(18)3/h5-13H,1-4H3,(H,23,27).
What are the key properties of 2-N-(3-methoxyphenyl)-1-N,1-N,4-trimethylpyrrolo[3,2-b]indole-1,2-dicarboxamide?
2-N-(3-methoxyphenyl)-1-N,1-N,4-trimethylpyrrolo[3,2-b]indole-1,2-dicarboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxyphenyl)-1-N,1-N,4-trimethylpyrrolo[3,2-b]indole-1,2-dicarboxamide is sourced from PubChem (CID 97441838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).