4-(4-chloro-3-methylphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide

C19H21ClN4O2 — CID 7708775

IUPAC4-(4-chloro-3-methylphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
SMILESCc1cc(OCCCC(=O)NCCc2nnc3ccccn23)ccc1Cl
InChIInChI=1S/C19H21ClN4O2/c1-14-13-15(7-8-16(14)20)26-12-4-6-19(25)21-10-9-18-23-22-17-5-2-3-11-24(17)18/h2-3,5,7-8,11,13H,4,6,9-10,12H2,1H3,(H,21,25)
InChIKeyNTZRFRMTDUAPOH-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.21
Rot. Bonds8

About 4-(4-chloro-3-methylphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide

4-(4-chloro-3-methylphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide (PubChem CID 7708775) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
PubChem CID7708775
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name4-(4-chloro-3-methylphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
SMILESCc1cc(OCCCC(=O)NCCc2nnc3ccccn23)ccc1Cl
InChIInChI=1S/C19H21ClN4O2/c1-14-13-15(7-8-16(14)20)26-12-4-6-19(25)21-10-9-18-23-22-17-5-2-3-11-24(17)18/h2-3,5,7-8,11,13H,4,6,9-10,12H2,1H3,(H,21,25)
InChIKeyNTZRFRMTDUAPOH-UHFFFAOYSA-N
XLogP3.21
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethoxyphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 51208266
3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 91947680
2-(4-methoxyphenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 27161874
4-(2,4-dichlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 39761431
2-(4-propan-2-ylphenoxy)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91947721
2-(2,5-dimethoxyphenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 23474337
3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 24629916
2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 24535728
4-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17475495
2-(4-phenylphenoxy)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91947550
4-(4-chloro-3-methylphenoxy)-1-phenylbutan-1-one
CID 60642749
4-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 2671659

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide (CID 7708775) is 4-(4-chloro-3-methylphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide is Cc1cc(OCCCC(=O)NCCc2nnc3ccccn23)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide?
The InChIKey is NTZRFRMTDUAPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-14-13-15(7-8-16(14)20)26-12-4-6-19(25)21-10-9-18-23-22-17-5-2-3-11-24(17)18/h2-3,5,7-8,11,13H,4,6,9-10,12H2,1H3,(H,21,25).
What are the key properties of 4-(4-chloro-3-methylphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide?
4-(4-chloro-3-methylphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide has a molecular weight of 372.86 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide is sourced from PubChem (CID 7708775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).