6-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C19H16FN7O2S — CID 133465099

IUPAC6-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nncs1)c1ccc(NCCCc2nc(-c3ccc(F)cc3)no2)nc1
InChIInChI=1S/C19H16FN7O2S/c20-14-6-3-12(4-7-14)17-24-16(29-27-17)2-1-9-21-15-8-5-13(10-22-15)18(28)25-19-26-23-11-30-19/h3-8,10-11H,1-2,9H2,(H,21,22)(H,25,26,28)
InChIKeyVAOWFNUMSLJKHZ-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.42
Rot. Bonds8

About 6-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133465099) has the molecular formula C19H16FN7O2S and a molecular weight of 425.45 g/mol. Its IUPAC name is 6-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID133465099
Molecular FormulaC19H16FN7O2S
Molecular Weight425.45 g/mol
Exact Mass425.11
IUPAC Name6-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nncs1)c1ccc(NCCCc2nc(-c3ccc(F)cc3)no2)nc1
InChIInChI=1S/C19H16FN7O2S/c20-14-6-3-12(4-7-14)17-24-16(29-27-17)2-1-9-21-15-8-5-13(10-22-15)18(28)25-19-26-23-11-30-19/h3-8,10-11H,1-2,9H2,(H,21,22)(H,25,26,28)
InChIKeyVAOWFNUMSLJKHZ-UHFFFAOYSA-N
XLogP3.42
TPSA118.72 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]-N-methylpyridazine-3-carboxamide
CID 133464990
6-[2-(diethylamino)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133381329
6-[3-[(3-methylfuran-2-carbonyl)amino]propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340031
6-[2-(3,4-difluorophenoxy)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329643
N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-5-methylpyrimidin-2-amine
CID 133465113
6-[2-(3-methylphenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 71925375
6-[3-(2,4-dichlorophenoxy)propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329073
5-bromo-N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-6-methylpyridin-2-amine
CID 133465031
6-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339464
4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 51064588
6-[(2,5-dimethylfuran-3-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339550
6-[[2-(4-chlorophenyl)phenyl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133343631

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133465099) is 6-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nncs1)c1ccc(NCCCc2nc(-c3ccc(F)cc3)no2)nc1.
What is the InChIKey of 6-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is VAOWFNUMSLJKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN7O2S/c20-14-6-3-12(4-7-14)17-24-16(29-27-17)2-1-9-21-15-8-5-13(10-22-15)18(28)25-19-26-23-11-30-19/h3-8,10-11H,1-2,9H2,(H,21,22)(H,25,26,28).
What are the key properties of 6-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133465099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).