N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C18H20N4O3 — CID 166215287

IUPACN-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOCCOCc1ccc(CNC(=O)c2ccc3nncn3c2)cc1
InChIInChI=1S/C18H20N4O3/c1-24-8-9-25-12-15-4-2-14(3-5-15)10-19-18(23)16-6-7-17-21-20-13-22(17)11-16/h2-7,11,13H,8-10,12H2,1H3,(H,19,23)
InChIKeyHHDFWBVNZDEVKF-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.82
Rot. Bonds8

About N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 166215287) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID166215287
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOCCOCc1ccc(CNC(=O)c2ccc3nncn3c2)cc1
InChIInChI=1S/C18H20N4O3/c1-24-8-9-25-12-15-4-2-14(3-5-15)10-19-18(23)16-6-7-17-21-20-13-22(17)11-16/h2-7,11,13H,8-10,12H2,1H3,(H,19,23)
InChIKeyHHDFWBVNZDEVKF-UHFFFAOYSA-N
XLogP1.82
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.82
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-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166180288
N-[[4-[(2-propan-2-ylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 164612204
N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166571517
N-[[4-(2-amino-2-iminoethyl)-3-fluorophenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 164621434
N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166182410
N-ethyl-4-[[[4-(methoxymethyl)benzoyl]amino]methyl]benzamide
CID 86990014
3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylmethyl)benzamide
CID 155963899
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166182442
4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35613985
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 111565594
4-(2-methoxyethoxymethyl)benzenecarbothioamide
CID 24697580
N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
CID 83866629

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 166215287) is N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is COCCOCc1ccc(CNC(=O)c2ccc3nncn3c2)cc1.
What is the InChIKey of N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is HHDFWBVNZDEVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-24-8-9-25-12-15-4-2-14(3-5-15)10-19-18(23)16-6-7-17-21-20-13-22(17)11-16/h2-7,11,13H,8-10,12H2,1H3,(H,19,23).
What are the key properties of N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 166215287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).