2,3-dimethyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide

C21H21N3O2 — CID 121293882

IUPAC2,3-dimethyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide
SMILESC=CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1C
InChIInChI=1S/C21H21N3O2/c1-5-18(25)24-17-8-6-7-14(12(17)3)15-9-10-16(21(22)26)20-19(15)11(2)13(4)23-20/h5-10,23H,1H2,2-4H3,(H2,22,26)(H,24,25)
InChIKeyGFZZUAFZBKEOHV-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.98
Rot. Bonds4

About 2,3-dimethyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide

2,3-dimethyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide (PubChem CID 121293882) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2,3-dimethyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide
PubChem CID121293882
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2,3-dimethyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide
SMILESC=CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1C
InChIInChI=1S/C21H21N3O2/c1-5-18(25)24-17-8-6-7-14(12(17)3)15-9-10-16(21(22)26)20-19(15)11(2)13(4)23-20/h5-10,23H,1H2,2-4H3,(H2,22,26)(H,24,25)
InChIKeyGFZZUAFZBKEOHV-UHFFFAOYSA-N
XLogP3.98
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2,3-dimethyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide?
The IUPAC name of 2,3-dimethyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide (CID 121293882) is 2,3-dimethyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide.
What is the SMILES notation for 2,3-dimethyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide?
The canonical SMILES for 2,3-dimethyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide is C=CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1C.
What is the InChIKey of 2,3-dimethyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide?
The InChIKey is GFZZUAFZBKEOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-5-18(25)24-17-8-6-7-14(12(17)3)15-9-10-16(21(22)26)20-19(15)11(2)13(4)23-20/h5-10,23H,1H2,2-4H3,(H2,22,26)(H,24,25).
What are the key properties of 2,3-dimethyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide?
2,3-dimethyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.98, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 121293882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).