5-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide

C15H16N4OS — CID 91947820

IUPAC5-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCCc2nnc3ccccn23)s1
InChIInChI=1S/C15H16N4OS/c1-11-7-8-12(21-11)15(20)16-9-4-6-14-18-17-13-5-2-3-10-19(13)14/h2-3,5,7-8,10H,4,6,9H2,1H3,(H,16,20)
InChIKeyZKWHHLIBNLJMQL-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.46
Rot. Bonds5

About 5-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide

5-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide (PubChem CID 91947820) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 5-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide
PubChem CID91947820
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name5-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCCc2nnc3ccccn23)s1
InChIInChI=1S/C15H16N4OS/c1-11-7-8-12(21-11)15(20)16-9-4-6-14-18-17-13-5-2-3-10-19(13)14/h2-3,5,7-8,10H,4,6,9H2,1H3,(H,16,20)
InChIKeyZKWHHLIBNLJMQL-UHFFFAOYSA-N
XLogP2.46
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 71977248
2,6-dichloro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 91947806
5-methoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
CID 91793630
6-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 70711892
3-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-benzofuran-2-carboxamide
CID 91947627
2-propyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,3-thiazole-4-carboxamide
CID 118782263
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 17449846
2-thiophen-3-yl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 131933799
5-bromo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
CID 91947819
3,4,5-trimethoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 45496104
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]benzoic acid
CID 91947510
cis-(1R,2S)-2-(5-methylthiophen-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopropane-1-carboxamide
CID 95273551

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide (CID 91947820) is 5-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCCCc2nnc3ccccn23)s1.
What is the InChIKey of 5-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide?
The InChIKey is ZKWHHLIBNLJMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-11-7-8-12(21-11)15(20)16-9-4-6-14-18-17-13-5-2-3-10-19(13)14/h2-3,5,7-8,10H,4,6,9H2,1H3,(H,16,20).
What are the key properties of 5-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide?
5-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide has a molecular weight of 300.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 91947820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).