4-(2,4-dichlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide

C17H16Cl2N4O2 — CID 39761431

IUPAC4-(2,4-dichlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NCc1nnc2ccccn12
InChIInChI=1S/C17H16Cl2N4O2/c18-12-6-7-14(13(19)10-12)25-9-3-5-17(24)20-11-16-22-21-15-4-1-2-8-23(15)16/h1-2,4,6-8,10H,3,5,9,11H2,(H,20,24)
InChIKeyJPYGUNVPAFKEOW-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.51
Rot. Bonds7

About 4-(2,4-dichlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide

4-(2,4-dichlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide (PubChem CID 39761431) has the molecular formula C17H16Cl2N4O2 and a molecular weight of 379.25 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
PubChem CID39761431
Molecular FormulaC17H16Cl2N4O2
Molecular Weight379.25 g/mol
Exact Mass378.07
IUPAC Name4-(2,4-dichlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NCc1nnc2ccccn12
InChIInChI=1S/C17H16Cl2N4O2/c18-12-6-7-14(13(19)10-12)25-9-3-5-17(24)20-11-16-22-21-15-4-1-2-8-23(15)16/h1-2,4,6-8,10H,3,5,9,11H2,(H,20,24)
InChIKeyJPYGUNVPAFKEOW-UHFFFAOYSA-N
XLogP3.51
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.51
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

1-(3-chloro-4-ethoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 87009930
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
2-(2,4-dichlorophenoxy)-N-(imidazo[1,5-a]pyridin-3-ylmethyl)acetamide
CID 112500571
4-(propan-2-ylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 61274404
4-(2,4-dichlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide
CID 52740396
4-(2-ethoxyphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 51208266
4-oxo-4-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 40709596
4-(4-chloro-3-methylphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 7708775
4-(2,4-dichlorophenoxy)-N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]propyl]butanamide
CID 3619651
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
4-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)butanamide
CID 2841932
4-(2,4-dichlorophenoxy)-N-prop-2-ynylbutanamide
CID 30600735

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide (CID 39761431) is 4-(2,4-dichlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide is O=C(CCCOc1ccc(Cl)cc1Cl)NCc1nnc2ccccn12.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide?
The InChIKey is JPYGUNVPAFKEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O2/c18-12-6-7-14(13(19)10-12)25-9-3-5-17(24)20-11-16-22-21-15-4-1-2-8-23(15)16/h1-2,4,6-8,10H,3,5,9,11H2,(H,20,24).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide?
4-(2,4-dichlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide has a molecular weight of 379.25 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 39761431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).