5-amino-N-butyl-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

C16H19N5OS — CID 11393342

IUPAC5-amino-N-butyl-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESCCCCNC(=O)c1cc(N)n2nc(-c3ccc(C)s3)nc2c1
InChIInChI=1S/C16H19N5OS/c1-3-4-7-18-16(22)11-8-13(17)21-14(9-11)19-15(20-21)12-6-5-10(2)23-12/h5-6,8-9H,3-4,7,17H2,1-2H3,(H,18,22)
InChIKeyPVNOMMFILVFUSV-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.88
Rot. Bonds5

About 5-amino-N-butyl-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

5-amino-N-butyl-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 11393342) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 5-amino-N-butyl-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-amino-N-butyl-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
PubChem CID11393342
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name5-amino-N-butyl-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESCCCCNC(=O)c1cc(N)n2nc(-c3ccc(C)s3)nc2c1
InChIInChI=1S/C16H19N5OS/c1-3-4-7-18-16(22)11-8-13(17)21-14(9-11)19-15(20-21)12-6-5-10(2)23-12/h5-6,8-9H,3-4,7,17H2,1-2H3,(H,18,22)
InChIKeyPVNOMMFILVFUSV-UHFFFAOYSA-N
XLogP2.88
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-ethyl-2-(5-methylthiophen-2-yl)-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 23552668
N-butyl-3,5-dimethylbenzamide
CID 17190927
N-butyl-5-methylthiophene-2-carboxamide;penta-1,4-diene
CID 143748403
5-amino-N-[(2-chlorophenyl)methyl]-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 23552552
3-bromo-N-butyl-5-methylbenzamide
CID 104851755
5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 23552566
N-butyl-3,5-dihydroxybenzamide
CID 91715801
3,5-diamino-N-hexadecylbenzamide
CID 54469516
N-butylpyridine-4-carboxamide
CID 5030535
N-butyl-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696270
N-butyl-7-[chloro(difluoro)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19459795
4-amino-3-methyl-N-octylbenzamide
CID 115565914

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butyl-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of 5-amino-N-butyl-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (CID 11393342) is 5-amino-N-butyl-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for 5-amino-N-butyl-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for 5-amino-N-butyl-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is CCCCNC(=O)c1cc(N)n2nc(-c3ccc(C)s3)nc2c1.
What is the InChIKey of 5-amino-N-butyl-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is PVNOMMFILVFUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-3-4-7-18-16(22)11-8-13(17)21-14(9-11)19-15(20-21)12-6-5-10(2)23-12/h5-6,8-9H,3-4,7,17H2,1-2H3,(H,18,22).
What are the key properties of 5-amino-N-butyl-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
5-amino-N-butyl-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butyl-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 11393342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).