N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-methylindole-2-carboxamide

C20H19N5O — CID 138989491

IUPACN-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-methylindole-2-carboxamide
SMILESCCc1nc(-c2ccccc2NC(=O)c2cc3ccccc3n2C)n[nH]1
InChIInChI=1S/C20H19N5O/c1-3-18-22-19(24-23-18)14-9-5-6-10-15(14)21-20(26)17-12-13-8-4-7-11-16(13)25(17)2/h4-12H,3H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyWPCULLLKBFBKRW-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.78
Rot. Bonds4

About N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-methylindole-2-carboxamide

N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-methylindole-2-carboxamide (PubChem CID 138989491) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-methylindole-2-carboxamide
PubChem CID138989491
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-methylindole-2-carboxamide
SMILESCCc1nc(-c2ccccc2NC(=O)c2cc3ccccc3n2C)n[nH]1
InChIInChI=1S/C20H19N5O/c1-3-18-22-19(24-23-18)14-9-5-6-10-15(14)21-20(26)17-12-13-8-4-7-11-16(13)25(17)2/h4-12H,3H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyWPCULLLKBFBKRW-UHFFFAOYSA-N
XLogP3.78
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-methylindole-2-carboxamide?
The IUPAC name of N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-methylindole-2-carboxamide (CID 138989491) is N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-methylindole-2-carboxamide is CCc1nc(-c2ccccc2NC(=O)c2cc3ccccc3n2C)n[nH]1.
What is the InChIKey of N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-methylindole-2-carboxamide?
The InChIKey is WPCULLLKBFBKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-3-18-22-19(24-23-18)14-9-5-6-10-15(14)21-20(26)17-12-13-8-4-7-11-16(13)25(17)2/h4-12H,3H2,1-2H3,(H,21,26)(H,22,23,24).
What are the key properties of N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-methylindole-2-carboxamide?
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-methylindole-2-carboxamide has a molecular weight of 345.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 138989491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).