N-(2-methoxyethyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C17H18N4O3 — CID 134800528

IUPACN-(2-methoxyethyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOCCNC(=O)c1ccc2nnc(-c3ccccc3OC)n2c1
InChIInChI=1S/C17H18N4O3/c1-23-10-9-18-17(22)12-7-8-15-19-20-16(21(15)11-12)13-5-3-4-6-14(13)24-2/h3-8,11H,9-10H2,1-2H3,(H,18,22)
InChIKeyJTXQDYMRDAMFKA-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.78
Rot. Bonds6

About N-(2-methoxyethyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-(2-methoxyethyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134800528) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID134800528
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-(2-methoxyethyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOCCNC(=O)c1ccc2nnc(-c3ccccc3OC)n2c1
InChIInChI=1S/C17H18N4O3/c1-23-10-9-18-17(22)12-7-8-15-19-20-16(21(15)11-12)13-5-3-4-6-14(13)24-2/h3-8,11H,9-10H2,1-2H3,(H,18,22)
InChIKeyJTXQDYMRDAMFKA-UHFFFAOYSA-N
XLogP1.78
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 137291262
methyl 3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384822
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 157012736
3-cyclopropyl-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134797761
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
3-(2-chlorophenyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 53196971
CID 134797080
CID 134797080
N-[2-(dimethylamino)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 50784714
N-(2-methoxyethyl)-4-[2-(2-methoxyphenoxy)propanoylamino]benzamide
CID 17218256
4-methoxy-N-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]ethyl]benzamide
CID 25283344
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
2-(4-methoxyphenoxy)-N-[2-[[3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]propanamide
CID 121059454

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134800528) is N-(2-methoxyethyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is COCCNC(=O)c1ccc2nnc(-c3ccccc3OC)n2c1.
What is the InChIKey of N-(2-methoxyethyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is JTXQDYMRDAMFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-23-10-9-18-17(22)12-7-8-15-19-20-16(21(15)11-12)13-5-3-4-6-14(13)24-2/h3-8,11H,9-10H2,1-2H3,(H,18,22).
What are the key properties of N-(2-methoxyethyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-(2-methoxyethyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134800528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).