3-chloro-2-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide

C16H14ClFN4O2 — CID 155004870

IUPAC3-chloro-2-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide
SMILESC=C/C=C(\C=C/CF)c1nccc(C(=O)Nc2nnc(C)o2)c1Cl
InChIInChI=1S/C16H14ClFN4O2/c1-3-5-11(6-4-8-18)14-13(17)12(7-9-19-14)15(23)20-16-22-21-10(2)24-16/h3-7,9H,1,8H2,2H3,(H,20,22,23)/b6-4-,11-5+
InChIKeyLPRTVRJFEAMWDZ-NQTKGXIKSA-N
MW348.77 g/mol
LogP3.77
Rot. Bonds6

About 3-chloro-2-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide

3-chloro-2-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide (PubChem CID 155004870) has the molecular formula C16H14ClFN4O2 and a molecular weight of 348.77 g/mol. Its IUPAC name is 3-chloro-2-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-2-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide
PubChem CID155004870
Molecular FormulaC16H14ClFN4O2
Molecular Weight348.77 g/mol
Exact Mass348.08
IUPAC Name3-chloro-2-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide
SMILESC=C/C=C(\C=C/CF)c1nccc(C(=O)Nc2nnc(C)o2)c1Cl
InChIInChI=1S/C16H14ClFN4O2/c1-3-5-11(6-4-8-18)14-13(17)12(7-9-19-14)15(23)20-16-22-21-10(2)24-16/h3-7,9H,1,8H2,2H3,(H,20,22,23)/b6-4-,11-5+
InChIKeyLPRTVRJFEAMWDZ-NQTKGXIKSA-N
XLogP3.77
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.77
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4132770
2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)nicotinamide
CID 86712495
3-chloro-2-(4-fluorophenyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide
CID 155004871
3-chloro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide
CID 155004963
6-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 165177414
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-fluoro-4-methylpyridine-2-carboxamide
CID 169248515
5-chloro-3-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide
CID 178612146
5-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide
CID 178612149
N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 178612151
3-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 178612154
3-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 178612181
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)pyridine-2-carboxamide
CID 178612184

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-2-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide (CID 155004870) is 3-chloro-2-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-2-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-2-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide is C=C/C=C(\C=C/CF)c1nccc(C(=O)Nc2nnc(C)o2)c1Cl.
What is the InChIKey of 3-chloro-2-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is LPRTVRJFEAMWDZ-NQTKGXIKSA-N. The full InChI is InChI=1S/C16H14ClFN4O2/c1-3-5-11(6-4-8-18)14-13(17)12(7-9-19-14)15(23)20-16-22-21-10(2)24-16/h3-7,9H,1,8H2,2H3,(H,20,22,23)/b6-4-,11-5+.
What are the key properties of 3-chloro-2-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide?
3-chloro-2-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 348.77 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 155004870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).