2-chloro-N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]pyridine-4-carboxamide

C19H12ClFN4O2S — CID 53156106

IUPAC2-chloro-N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(-c2nc(-c3ccc(F)cc3)no2)s1)c1ccnc(Cl)c1
InChIInChI=1S/C19H12ClFN4O2S/c20-16-9-12(7-8-22-16)18(26)23-10-14-5-6-15(28-14)19-24-17(25-27-19)11-1-3-13(21)4-2-11/h1-9H,10H2,(H,23,26)
InChIKeyMEIFBDNUYFBLRM-UHFFFAOYSA-N
MW414.85 g/mol
LogP4.58
Rot. Bonds5

About 2-chloro-N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]pyridine-4-carboxamide

2-chloro-N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]pyridine-4-carboxamide (PubChem CID 53156106) has the molecular formula C19H12ClFN4O2S and a molecular weight of 414.85 g/mol. Its IUPAC name is 2-chloro-N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]pyridine-4-carboxamide
PubChem CID53156106
Molecular FormulaC19H12ClFN4O2S
Molecular Weight414.85 g/mol
Exact Mass414.04
IUPAC Name2-chloro-N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(-c2nc(-c3ccc(F)cc3)no2)s1)c1ccnc(Cl)c1
InChIInChI=1S/C19H12ClFN4O2S/c20-16-9-12(7-8-22-16)18(26)23-10-14-5-6-15(28-14)19-24-17(25-27-19)11-1-3-13(21)4-2-11/h1-9H,10H2,(H,23,26)
InChIKeyMEIFBDNUYFBLRM-UHFFFAOYSA-N
XLogP4.58
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]pyridine-4-carboxamide (CID 53156106) is 2-chloro-N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]pyridine-4-carboxamide is O=C(NCc1ccc(-c2nc(-c3ccc(F)cc3)no2)s1)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]pyridine-4-carboxamide?
The InChIKey is MEIFBDNUYFBLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4O2S/c20-16-9-12(7-8-22-16)18(26)23-10-14-5-6-15(28-14)19-24-17(25-27-19)11-1-3-13(21)4-2-11/h1-9H,10H2,(H,23,26).
What are the key properties of 2-chloro-N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]pyridine-4-carboxamide?
2-chloro-N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]pyridine-4-carboxamide has a molecular weight of 414.85 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 53156106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).