N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

C17H21ClN4O2 — CID 136565162

IUPACN-[(3-chloro-4-ethoxyphenyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCCOc1ccc(CNC(=O)C2CCc3nc(C)nn3C2)cc1Cl
InChIInChI=1S/C17H21ClN4O2/c1-3-24-15-6-4-12(8-14(15)18)9-19-17(23)13-5-7-16-20-11(2)21-22(16)10-13/h4,6,8,13H,3,5,7,9-10H2,1-2H3,(H,19,23)
InChIKeyDDEVXNVWDGILGF-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.52
Rot. Bonds5

About N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 136565162) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-ethoxyphenyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
PubChem CID136565162
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC NameN-[(3-chloro-4-ethoxyphenyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCCOc1ccc(CNC(=O)C2CCc3nc(C)nn3C2)cc1Cl
InChIInChI=1S/C17H21ClN4O2/c1-3-24-15-6-4-12(8-14(15)18)9-19-17(23)13-5-7-16-20-11(2)21-22(16)10-13/h4,6,8,13H,3,5,7,9-10H2,1-2H3,(H,19,23)
InChIKeyDDEVXNVWDGILGF-UHFFFAOYSA-N
XLogP2.52
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-ethoxyphenyl)ethyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 136563405
1-[(2-ethoxy-4-methylphenyl)methyl]-3-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 124572180
(3R)-N-[(3,4-diethoxyphenyl)methyl]-1-methylpiperidine-3-carboxamide
CID 95396834
N-[(3-chloro-4-ethoxyphenyl)methyl]carbamoyl chloride
CID 115194640
N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 138027813
N-[(4-ethoxy-3-methylphenyl)methyl]azetidine-3-carboxamide
CID 115158856
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-hydroxyacetamide
CID 115139828
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-(hydroxymethyl)azetidine-1-carboxamide
CID 146106391
1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 6495109
N-[(3-chloro-4-ethoxyphenyl)methyl]-1-cyanoformamide
CID 115172175
N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 99133680
2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 138054424

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (CID 136565162) is N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is CCOc1ccc(CNC(=O)C2CCc3nc(C)nn3C2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is DDEVXNVWDGILGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-3-24-15-6-4-12(8-14(15)18)9-19-17(23)13-5-7-16-20-11(2)21-22(16)10-13/h4,6,8,13H,3,5,7,9-10H2,1-2H3,(H,19,23).
What are the key properties of N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 136565162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).