N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-fluoropyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;methane;3-methyl-N-[3-[(2-methyl-3-pyridinyl)oxy]phenyl]benzamide

C96H76Cl2F4N12O10 — CID 159968939

About N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-fluoropyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;methane;3-methyl-N-[3-[(2-methyl-3-pyridinyl)oxy]phenyl]benzamide

N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-fluoropyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;methane;3-methyl-N-[3-[(2-methyl-3-pyridinyl)oxy]phenyl]benzamide (PubChem CID 159968939) has the molecular formula C96H76Cl2F4N12O10 and a molecular weight of 1704.64 g/mol. Its IUPAC name is N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-fluoropyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;methane;3-methyl-N-[3-[(2-methyl-3-pyridinyl)oxy]phenyl]benzamide.

Molecular Properties

• Compound Name: N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-fluoropyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;methane;3-methyl-N-[3-[(2-methyl-3-pyridinyl)oxy]phenyl]benzamide
• PubChem CID: 159968939
• Molecular Formula: C96H76Cl2F4N12O10
• Molecular Weight: 1704.64 g/mol
• Exact Mass: 1702.51
• IUPAC Name: N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-fluoropyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;methane;3-methyl-N-[3-[(2-methyl-3-pyridinyl)oxy]phenyl]benzamide
• SMILES: C.C#Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cccnc3)c2)c1.CC(F)(F)c1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1.Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3C)c2)c1.O=C(Nc1cc(Cl)cc(Oc2cccnc2)c1)c1ncccc1F
• InChI: InChI=1S/C20H13FN2O2.C20H18N2O2.C19H15ClN2O2.C19H15F2N3O2.C17H11ClFN3O2.CH4/c1-2-14-5-3-6-15(9-14)20(24)23-17-10-16(21)11-19(12-17)25-18-7-4-8-22-13-18;1-14-6-3-7-16(12-14)20(23)22-17-8-4-9-18(13-17)24-19-10-5-11-21-15(19)2;1-13-4-2-5-14(8-13)19(23)22-16-9-15(20)10-18(11-16)24-17-6-3-7-21-12-17;1-19(20,21)17-9-3-8-16(24-17)18(25)23-13-5-2-6-14(11-13)26-15-7-4-10-22-12-15;18-11-7-12(22-17(23)16-15(19)4-2-6-21-16)9-14(8-11)24-13-3-1-5-20-10-13;/h1,3-13H,(H,23,24);3-13H,1-2H3,(H,22,23);2-12H,1H3,(H,22,23);2-12H,1H3,(H,23,25);1-10H,(H,22,23);1H4
• InChIKey: OEHCTQCQHTUARU-UHFFFAOYSA-N
• XLogP: 23.66
• TPSA: 281.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1704.64
LogP ≤ 5	23.66
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-fluoropyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;methane;3-methyl-N-[3-[(2-methyl-3-pyridinyl)oxy]phenyl]benzamide?

The IUPAC name of N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-fluoropyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;methane;3-methyl-N-[3-[(2-methyl-3-pyridinyl)oxy]phenyl]benzamide (CID 159968939) is N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-fluoropyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;methane;3-methyl-N-[3-[(2-methyl-3-pyridinyl)oxy]phenyl]benzamide.

What is the SMILES notation for N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-fluoropyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;methane;3-methyl-N-[3-[(2-methyl-3-pyridinyl)oxy]phenyl]benzamide?

The canonical SMILES for N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-fluoropyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;methane;3-methyl-N-[3-[(2-methyl-3-pyridinyl)oxy]phenyl]benzamide is C.C#Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cccnc3)c2)c1.CC(F)(F)c1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1.Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3C)c2)c1.O=C(Nc1cc(Cl)cc(Oc2cccnc2)c1)c1ncccc1F.

What is the InChIKey of N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-fluoropyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;methane;3-methyl-N-[3-[(2-methyl-3-pyridinyl)oxy]phenyl]benzamide?

The InChIKey is OEHCTQCQHTUARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O2.C20H18N2O2.C19H15ClN2O2.C19H15F2N3O2.C17H11ClFN3O2.CH4/c1-2-14-5-3-6-15(9-14)20(24)23-17-10-16(21)11-19(12-17)25-18-7-4-8-22-13-18;1-14-6-3-7-16(12-14)20(23)22-17-8-4-9-18(13-17)24-19-10-5-11-21-15(19)2;1-13-4-2-5-14(8-13)19(23)22-16-9-15(20)10-18(11-16)24-17-6-3-7-21-12-17;1-19(20,21)17-9-3-8-16(24-17)18(25)23-13-5-2-6-14(11-13)26-15-7-4-10-22-12-15;18-11-7-12(22-17(23)16-15(19)4-2-6-21-16)9-14(8-11)24-13-3-1-5-20-10-13;/h1,3-13H,(H,23,24);3-13H,1-2H3,(H,22,23);2-12H,1H3,(H,22,23);2-12H,1H3,(H,23,25);1-10H,(H,22,23);1H4.

What are the key properties of N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-fluoropyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;methane;3-methyl-N-[3-[(2-methyl-3-pyridinyl)oxy]phenyl]benzamide?

N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-fluoropyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;methane;3-methyl-N-[3-[(2-methyl-3-pyridinyl)oxy]phenyl]benzamide has a molecular weight of 1704.64 g/mol, XLogP of 23.66, 21 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-fluoropyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;methane;3-methyl-N-[3-[(2-methyl-3-pyridinyl)oxy]phenyl]benzamide is sourced from PubChem (CID 159968939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).