N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,6-difluoro-4-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[2-hydroxyethyl(propyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide;5-(3-cyanophenyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-(3-fluorophenyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide

C114H104Cl2F16N20O11S3 — CID 159473857

About N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,6-difluoro-4-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[2-hydroxyethyl(propyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide;5-(3-cyanophenyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-(3-fluorophenyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide

N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,6-difluoro-4-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[2-hydroxyethyl(propyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide;5-(3-cyanophenyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-(3-fluorophenyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide (PubChem CID 159473857) has the molecular formula C114H104Cl2F16N20O11S3 and a molecular weight of 2401.29 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,6-difluoro-4-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[2-hydroxyethyl(propyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide;5-(3-cyanophenyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-(3-fluorophenyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,6-difluoro-4-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[2-hydroxyethyl(propyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide;5-(3-cyanophenyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-(3-fluorophenyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
• PubChem CID: 159473857
• Molecular Formula: C114H104Cl2F16N20O11S3
• Molecular Weight: 2401.29 g/mol
• Exact Mass: 2398.65
• IUPAC Name: N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,6-difluoro-4-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[2-hydroxyethyl(propyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide;5-(3-cyanophenyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-(3-fluorophenyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
• SMILES: CCCN(CCO)c1ncc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1-c1cncnc1.CCN(CCO)c1ncc(C(=O)Nc2ccc(SC(F)(F)F)cc2)cc1-c1cccc(C#N)c1.CCN(CCO)c1ncc(C(=O)Nc2ccc(SC(F)(F)F)cc2)cc1-c1cccc(F)c1.CCN(CCO)c1ncc(C(=O)Nc2ccc(SC(F)(F)F)cc2)cc1-c1cccnc1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2cc(F)nc(F)c2)C1
• InChI: InChI=1S/C24H21F3N4O2S.C23H19ClF4N4O2.C23H21F4N3O2S.C22H22ClF2N5O3.C22H21F3N4O2S/c1-2-31(10-11-32)22-21(17-5-3-4-16(12-17)14-28)13-18(15-29-22)23(33)30-19-6-8-20(9-7-19)34-24(25,26)27;1-13-6-7-32(12-13)21-18(14-9-19(25)31-20(26)10-14)8-15(11-29-21)22(33)30-16-2-4-17(5-3-16)34-23(24,27)28;1-2-30(10-11-31)21-20(15-4-3-5-17(24)12-15)13-16(14-28-21)22(32)29-18-6-8-19(9-7-18)33-23(25,26)27;1-2-7-30(8-9-31)20-19(16-11-26-14-27-12-16)10-15(13-28-20)21(32)29-17-3-5-18(6-4-17)33-22(23,24)25;1-2-29(10-11-30)20-19(15-4-3-9-26-13-15)12-16(14-27-20)21(31)28-17-5-7-18(8-6-17)32-22(23,24)25/h3-9,12-13,15,32H,2,10-11H2,1H3,(H,30,33);2-5,8-11,13H,6-7,12H2,1H3,(H,30,33);3-9,12-14,31H,2,10-11H2,1H3,(H,29,32);3-6,10-14,31H,2,7-9H2,1H3,(H,29,32);3-9,12-14,30H,2,10-11H2,1H3,(H,28,31)/t;13-;;;/m.1.../s1
• InChIKey: LWDBWDBAVJNENK-QEANAVKHSA-N
• XLogP: 25.56
• TPSA: 400.88 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 40
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2401.29
LogP ≤ 5	25.56
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,6-difluoro-4-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[2-hydroxyethyl(propyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide;5-(3-cyanophenyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-(3-fluorophenyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,6-difluoro-4-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[2-hydroxyethyl(propyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide;5-(3-cyanophenyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-(3-fluorophenyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide (CID 159473857) is N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,6-difluoro-4-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[2-hydroxyethyl(propyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide;5-(3-cyanophenyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-(3-fluorophenyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,6-difluoro-4-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[2-hydroxyethyl(propyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide;5-(3-cyanophenyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-(3-fluorophenyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,6-difluoro-4-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[2-hydroxyethyl(propyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide;5-(3-cyanophenyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-(3-fluorophenyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide is CCCN(CCO)c1ncc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1-c1cncnc1.CCN(CCO)c1ncc(C(=O)Nc2ccc(SC(F)(F)F)cc2)cc1-c1cccc(C#N)c1.CCN(CCO)c1ncc(C(=O)Nc2ccc(SC(F)(F)F)cc2)cc1-c1cccc(F)c1.CCN(CCO)c1ncc(C(=O)Nc2ccc(SC(F)(F)F)cc2)cc1-c1cccnc1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2cc(F)nc(F)c2)C1.

What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,6-difluoro-4-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[2-hydroxyethyl(propyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide;5-(3-cyanophenyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-(3-fluorophenyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide?

The InChIKey is LWDBWDBAVJNENK-QEANAVKHSA-N. The full InChI is InChI=1S/C24H21F3N4O2S.C23H19ClF4N4O2.C23H21F4N3O2S.C22H22ClF2N5O3.C22H21F3N4O2S/c1-2-31(10-11-32)22-21(17-5-3-4-16(12-17)14-28)13-18(15-29-22)23(33)30-19-6-8-20(9-7-19)34-24(25,26)27;1-13-6-7-32(12-13)21-18(14-9-19(25)31-20(26)10-14)8-15(11-29-21)22(33)30-16-2-4-17(5-3-16)34-23(24,27)28;1-2-30(10-11-31)21-20(15-4-3-5-17(24)12-15)13-16(14-28-21)22(32)29-18-6-8-19(9-7-18)33-23(25,26)27;1-2-7-30(8-9-31)20-19(16-11-26-14-27-12-16)10-15(13-28-20)21(32)29-17-3-5-18(6-4-17)33-22(23,24)25;1-2-29(10-11-30)20-19(15-4-3-9-26-13-15)12-16(14-27-20)21(31)28-17-5-7-18(8-6-17)32-22(23,24)25/h3-9,12-13,15,32H,2,10-11H2,1H3,(H,30,33);2-5,8-11,13H,6-7,12H2,1H3,(H,30,33);3-9,12-14,31H,2,10-11H2,1H3,(H,29,32);3-6,10-14,31H,2,7-9H2,1H3,(H,29,32);3-9,12-14,30H,2,10-11H2,1H3,(H,28,31)/t;13-;;;/m.1.../s1.

What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,6-difluoro-4-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[2-hydroxyethyl(propyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide;5-(3-cyanophenyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-(3-fluorophenyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide?

N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,6-difluoro-4-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[2-hydroxyethyl(propyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide;5-(3-cyanophenyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-(3-fluorophenyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide has a molecular weight of 2401.29 g/mol, XLogP of 25.56, 40 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,6-difluoro-4-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[2-hydroxyethyl(propyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide;5-(3-cyanophenyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-(3-fluorophenyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 159473857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).