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

C19H17N5O — CID 131950587

IUPAC1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]indole-4-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3cccc4c3ccn4C)c2)n[nH]1
InChIInChI=1S/C19H17N5O/c1-12-20-18(23-22-12)13-5-3-6-14(11-13)21-19(25)16-7-4-8-17-15(16)9-10-24(17)2/h3-11H,1-2H3,(H,21,25)(H,20,22,23)
InChIKeyCTXQVSNAZJFIHW-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.52
Rot. Bonds3

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

1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]indole-4-carboxamide (PubChem CID 131950587) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]indole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]indole-4-carboxamide
PubChem CID131950587
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]indole-4-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3cccc4c3ccn4C)c2)n[nH]1
InChIInChI=1S/C19H17N5O/c1-12-20-18(23-22-12)13-5-3-6-14(11-13)21-19(25)16-7-4-8-17-15(16)9-10-24(17)2/h3-11H,1-2H3,(H,21,25)(H,20,22,23)
InChIKeyCTXQVSNAZJFIHW-UHFFFAOYSA-N
XLogP3.52
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide
CID 52668615
3-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide
CID 131913057
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 64525875
1-methyl-N-(3-methylsulfanylphenyl)indole-4-carboxamide
CID 51053502
4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 131927235
5-acetyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-2-carboxamide
CID 131930308
2,4-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136578426
2-(methylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928275
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55826182
3-acetamido-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 87011024
3,5-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 131928767
4-bromo-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 60933061

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]indole-4-carboxamide?
The IUPAC name of 1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]indole-4-carboxamide (CID 131950587) is 1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]indole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]indole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]indole-4-carboxamide is Cc1nc(-c2cccc(NC(=O)c3cccc4c3ccn4C)c2)n[nH]1.
What is the InChIKey of 1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]indole-4-carboxamide?
The InChIKey is CTXQVSNAZJFIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-12-20-18(23-22-12)13-5-3-6-14(11-13)21-19(25)16-7-4-8-17-15(16)9-10-24(17)2/h3-11H,1-2H3,(H,21,25)(H,20,22,23).
What are the key properties of 1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]indole-4-carboxamide?
1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]indole-4-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]indole-4-carboxamide is sourced from PubChem (CID 131950587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).