N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-2H-triazolo[4,5-b]pyridine-6-carboxamide

C17H14N6O2 — CID 75440945

IUPACN-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-2H-triazolo[4,5-b]pyridine-6-carboxamide
SMILESC#Cc1cccc(NC(=O)CN(C)C(=O)c2cnc3n[nH]nc3c2)c1
InChIInChI=1S/C17H14N6O2/c1-3-11-5-4-6-13(7-11)19-15(24)10-23(2)17(25)12-8-14-16(18-9-12)21-22-20-14/h1,4-9H,10H2,2H3,(H,19,24)(H,18,20,21,22)
InChIKeyQZOXVGBHSYGZCX-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.04
Rot. Bonds4

About N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-2H-triazolo[4,5-b]pyridine-6-carboxamide

N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-2H-triazolo[4,5-b]pyridine-6-carboxamide (PubChem CID 75440945) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-2H-triazolo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-2H-triazolo[4,5-b]pyridine-6-carboxamide
PubChem CID75440945
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC NameN-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-2H-triazolo[4,5-b]pyridine-6-carboxamide
SMILESC#Cc1cccc(NC(=O)CN(C)C(=O)c2cnc3n[nH]nc3c2)c1
InChIInChI=1S/C17H14N6O2/c1-3-11-5-4-6-13(7-11)19-15(24)10-23(2)17(25)12-8-14-16(18-9-12)21-22-20-14/h1,4-9H,10H2,2H3,(H,19,24)(H,18,20,21,22)
InChIKeyQZOXVGBHSYGZCX-UHFFFAOYSA-N
XLogP1.04
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methylbenzamide
CID 55835518
N-[2-(3-ethynylanilino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 75481972
3,4-diethoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methylbenzamide
CID 55835265
4-chloro-N-[2-(3-ethynylanilino)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 47049032
N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylmethoxy)benzamide
CID 55958832
N-[2-(3-ethynylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methylsulfanyl]-N-methylpyridine-3-carboxamide
CID 55993864
N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-5-nitrofuran-2-carboxamide
CID 60556788
N-(3-ethynylphenyl)-2-[methyl(1,2,4-thiadiazol-5-yl)amino]acetamide
CID 91651089
N-[2-(3-ethynylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55810911
2-cyclopentylsulfanyl-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 55958968
N-(3-ethynylphenyl)-2-[methyl-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetamide
CID 55835941
3-(2-ethoxyphenyl)-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methylpropanamide
CID 55811040

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-2H-triazolo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-2H-triazolo[4,5-b]pyridine-6-carboxamide (CID 75440945) is N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-2H-triazolo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-2H-triazolo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-2H-triazolo[4,5-b]pyridine-6-carboxamide is C#Cc1cccc(NC(=O)CN(C)C(=O)c2cnc3n[nH]nc3c2)c1.
What is the InChIKey of N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-2H-triazolo[4,5-b]pyridine-6-carboxamide?
The InChIKey is QZOXVGBHSYGZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c1-3-11-5-4-6-13(7-11)19-15(24)10-23(2)17(25)12-8-14-16(18-9-12)21-22-20-14/h1,4-9H,10H2,2H3,(H,19,24)(H,18,20,21,22).
What are the key properties of N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-2H-triazolo[4,5-b]pyridine-6-carboxamide?
N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-2H-triazolo[4,5-b]pyridine-6-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-2H-triazolo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 75440945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).