N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1-prop-2-enylindole-3-carboxamide

C21H19N5O — CID 71886124

IUPACN-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1-prop-2-enylindole-3-carboxamide
SMILESC=CCn1cc(C(=O)Nc2cccc(-c3nncn3C)c2)c2ccccc21
InChIInChI=1S/C21H19N5O/c1-3-11-26-13-18(17-9-4-5-10-19(17)26)21(27)23-16-8-6-7-15(12-16)20-24-22-14-25(20)2/h3-10,12-14H,1,11H2,2H3,(H,23,27)
InChIKeyDYNUXDVQKAIDPQ-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.88
Rot. Bonds5

About N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1-prop-2-enylindole-3-carboxamide

N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1-prop-2-enylindole-3-carboxamide (PubChem CID 71886124) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1-prop-2-enylindole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1-prop-2-enylindole-3-carboxamide
PubChem CID71886124
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1-prop-2-enylindole-3-carboxamide
SMILESC=CCn1cc(C(=O)Nc2cccc(-c3nncn3C)c2)c2ccccc21
InChIInChI=1S/C21H19N5O/c1-3-11-26-13-18(17-9-4-5-10-19(17)26)21(27)23-16-8-6-7-15(12-16)20-24-22-14-25(20)2/h3-10,12-14H,1,11H2,2H3,(H,23,27)
InChIKeyDYNUXDVQKAIDPQ-UHFFFAOYSA-N
XLogP3.88
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethyl)-6-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-oxopyridine-3-carboxamide
CID 136542631
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 38314118
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-quinoline-3-carboxamide
CID 46431770
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-ethylindole-3-carboxamide
CID 46532818
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733395
4-(methylsulfonylmethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 39034668
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-prop-2-enylindole-3-carboxamide
CID 60583682
2-bromo-5-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide
CID 75401167
4-ethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 39032770
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 136577197
2-[methyl(phenyl)sulfamoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 78861771
4-chloro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 43070910

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1-prop-2-enylindole-3-carboxamide?
The IUPAC name of N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1-prop-2-enylindole-3-carboxamide (CID 71886124) is N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1-prop-2-enylindole-3-carboxamide.
What is the SMILES notation for N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1-prop-2-enylindole-3-carboxamide?
The canonical SMILES for N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1-prop-2-enylindole-3-carboxamide is C=CCn1cc(C(=O)Nc2cccc(-c3nncn3C)c2)c2ccccc21.
What is the InChIKey of N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1-prop-2-enylindole-3-carboxamide?
The InChIKey is DYNUXDVQKAIDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-3-11-26-13-18(17-9-4-5-10-19(17)26)21(27)23-16-8-6-7-15(12-16)20-24-22-14-25(20)2/h3-10,12-14H,1,11H2,2H3,(H,23,27).
What are the key properties of N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1-prop-2-enylindole-3-carboxamide?
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1-prop-2-enylindole-3-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1-prop-2-enylindole-3-carboxamide is sourced from PubChem (CID 71886124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).