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

C20H19N3O2 — CID 121293832

IUPAC2-methyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide
SMILESC=CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c(C)cc23)c1C
InChIInChI=1S/C20H19N3O2/c1-4-18(24)23-17-7-5-6-13(12(17)3)14-8-9-15(20(21)25)19-16(14)10-11(2)22-19/h4-10,22H,1H2,2-3H3,(H2,21,25)(H,23,24)
InChIKeyGRZLYXQCDVBNTB-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.68
Rot. Bonds4

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

2-methyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide (PubChem CID 121293832) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-methyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name2-methyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide
PubChem CID121293832
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-methyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide
SMILESC=CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c(C)cc23)c1C
InChIInChI=1S/C20H19N3O2/c1-4-18(24)23-17-7-5-6-13(12(17)3)14-8-9-15(20(21)25)19-16(14)10-11(2)22-19/h4-10,22H,1H2,2-3H3,(H2,21,25)(H,23,24)
InChIKeyGRZLYXQCDVBNTB-UHFFFAOYSA-N
XLogP3.68
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide?
The IUPAC name of 2-methyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide (CID 121293832) is 2-methyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide.
What is the SMILES notation for 2-methyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide?
The canonical SMILES for 2-methyl-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)cc23)c1C.
What is the InChIKey of 2-methyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide?
The InChIKey is GRZLYXQCDVBNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-4-18(24)23-17-7-5-6-13(12(17)3)14-8-9-15(20(21)25)19-16(14)10-11(2)22-19/h4-10,22H,1H2,2-3H3,(H2,21,25)(H,23,24).
What are the key properties of 2-methyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide?
2-methyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 121293832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).