3-(4-fluorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide

C18H19FN4O — CID 91947697

IUPAC3-(4-fluorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)NCCCc1nnc2ccccn12
InChIInChI=1S/C18H19FN4O/c19-15-9-6-14(7-10-15)8-11-18(24)20-12-3-5-17-22-21-16-4-1-2-13-23(16)17/h1-2,4,6-7,9-10,13H,3,5,8,11-12H2,(H,20,24)
InChIKeyKNHYMFIWMQQWDX-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.55
Rot. Bonds7

About 3-(4-fluorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide

3-(4-fluorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide (PubChem CID 91947697) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
PubChem CID91947697
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name3-(4-fluorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)NCCCc1nnc2ccccn12
InChIInChI=1S/C18H19FN4O/c19-15-9-6-14(7-10-15)8-11-18(24)20-12-3-5-17-22-21-16-4-1-2-13-23(16)17/h1-2,4,6-7,9-10,13H,3,5,8,11-12H2,(H,20,24)
InChIKeyKNHYMFIWMQQWDX-UHFFFAOYSA-N
XLogP2.55
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)propanamide
CID 110630927
4-(2-acetylhydrazinyl)-4-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide
CID 91947749
3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 91947680
2-(4-fluorophenyl)sulfanyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 51252037
2-(4-methylsulfonylphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91769600
2-thiophen-3-yl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 131933799
3-thiophen-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 31618858
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 91947688
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine
CID 111229247
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 42278944
5-bromo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
CID 91947819
2-(4-phenylphenoxy)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91947550

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide (CID 91947697) is 3-(4-fluorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide is O=C(CCc1ccc(F)cc1)NCCCc1nnc2ccccn12.
What is the InChIKey of 3-(4-fluorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide?
The InChIKey is KNHYMFIWMQQWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c19-15-9-6-14(7-10-15)8-11-18(24)20-12-3-5-17-22-21-16-4-1-2-13-23(16)17/h1-2,4,6-7,9-10,13H,3,5,8,11-12H2,(H,20,24).
What are the key properties of 3-(4-fluorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide?
3-(4-fluorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide has a molecular weight of 326.38 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide is sourced from PubChem (CID 91947697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).