N-[3-chloro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(difluoromethylsulfanyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide

C134H122ClF19N30O10S3 — CID 158813362

About N-[3-chloro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(difluoromethylsulfanyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide

N-[3-chloro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(difluoromethylsulfanyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide (PubChem CID 158813362) has the molecular formula C134H122ClF19N30O10S3 and a molecular weight of 2805.27 g/mol. Its IUPAC name is N-[3-chloro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(difluoromethylsulfanyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-chloro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(difluoromethylsulfanyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide
• PubChem CID: 158813362
• Molecular Formula: C134H122ClF19N30O10S3
• Molecular Weight: 2805.27 g/mol
• Exact Mass: 2802.85
• IUPAC Name: N-[3-chloro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(difluoromethylsulfanyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide
• SMILES: C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(C(F)(F)C(F)(F)F)cc3)cc2-c2cncnc2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(C)(F)F)cc3)cc2-c2cncnc2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)c(Cl)c3)cc2-c2cncnc2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(S(=O)(=O)C(F)(F)F)cc3)cc2-c2cncnc2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(SC(F)(F)F)c(F)c3)cc2-c2cncnc2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(SC(F)F)cc3)cc2-c2cncnc2)C1
• InChI: InChI=1S/C23H20F5N5O.C23H23F2N5O2.C22H19ClF3N5O2.C22H19F4N5OS.C22H20F3N5O3S.C22H21F2N5OS/c1-14-6-7-33(12-14)20-19(16-9-29-13-30-10-16)8-15(11-31-20)21(34)32-18-4-2-17(3-5-18)22(24,25)23(26,27)28;1-15-7-8-30(13-15)21-20(17-10-26-14-27-11-17)9-16(12-28-21)22(31)29-18-3-5-19(6-4-18)32-23(2,24)25;2*1-13-4-5-31(11-13)20-17(15-8-27-12-28-9-15)6-14(10-29-20)21(32)30-16-2-3-19(18(23)7-16)33-22(24,25)26;1-14-6-7-30(12-14)20-19(16-9-26-13-27-10-16)8-15(11-28-20)21(31)29-17-2-4-18(5-3-17)34(32,33)22(23,24)25;1-14-6-7-29(12-14)20-19(16-9-25-13-26-10-16)8-15(11-27-20)21(30)28-17-2-4-18(5-3-17)31-22(23)24/h2-5,8-11,13-14H,6-7,12H2,1H3,(H,32,34);3-6,9-12,14-15H,7-8,13H2,1-2H3,(H,29,31);2*2-3,6-10,12-13H,4-5,11H2,1H3,(H,30,32);2-5,8-11,13-14H,6-7,12H2,1H3,(H,29,31);2-5,8-11,13-14,22H,6-7,12H2,1H3,(H,28,30)/t14-;15-;2*13-;2*14-/m111111/s1
• InChIKey: IUYQMDRSJAKNFQ-UOVRDFRCSA-N
• XLogP: 29.38
• TPSA: 478.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 32
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2805.27
LogP ≤ 5	29.38
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(difluoromethylsulfanyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[3-chloro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(difluoromethylsulfanyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide (CID 158813362) is N-[3-chloro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(difluoromethylsulfanyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[3-chloro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(difluoromethylsulfanyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[3-chloro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(difluoromethylsulfanyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide is C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(C(F)(F)C(F)(F)F)cc3)cc2-c2cncnc2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(C)(F)F)cc3)cc2-c2cncnc2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)c(Cl)c3)cc2-c2cncnc2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(S(=O)(=O)C(F)(F)F)cc3)cc2-c2cncnc2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(SC(F)(F)F)c(F)c3)cc2-c2cncnc2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(SC(F)F)cc3)cc2-c2cncnc2)C1.

What is the InChIKey of N-[3-chloro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(difluoromethylsulfanyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide?

The InChIKey is IUYQMDRSJAKNFQ-UOVRDFRCSA-N. The full InChI is InChI=1S/C23H20F5N5O.C23H23F2N5O2.C22H19ClF3N5O2.C22H19F4N5OS.C22H20F3N5O3S.C22H21F2N5OS/c1-14-6-7-33(12-14)20-19(16-9-29-13-30-10-16)8-15(11-31-20)21(34)32-18-4-2-17(3-5-18)22(24,25)23(26,27)28;1-15-7-8-30(13-15)21-20(17-10-26-14-27-11-17)9-16(12-28-21)22(31)29-18-3-5-19(6-4-18)32-23(2,24)25;2*1-13-4-5-31(11-13)20-17(15-8-27-12-28-9-15)6-14(10-29-20)21(32)30-16-2-3-19(18(23)7-16)33-22(24,25)26;1-14-6-7-30(12-14)20-19(16-9-26-13-27-10-16)8-15(11-28-20)21(31)29-17-2-4-18(5-3-17)34(32,33)22(23,24)25;1-14-6-7-29(12-14)20-19(16-9-25-13-26-10-16)8-15(11-27-20)21(30)28-17-2-4-18(5-3-17)31-22(23)24/h2-5,8-11,13-14H,6-7,12H2,1H3,(H,32,34);3-6,9-12,14-15H,7-8,13H2,1-2H3,(H,29,31);2*2-3,6-10,12-13H,4-5,11H2,1H3,(H,30,32);2-5,8-11,13-14H,6-7,12H2,1H3,(H,29,31);2-5,8-11,13-14,22H,6-7,12H2,1H3,(H,28,30)/t14-;15-;2*13-;2*14-/m111111/s1.

What are the key properties of N-[3-chloro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(difluoromethylsulfanyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide?

N-[3-chloro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(difluoromethylsulfanyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide has a molecular weight of 2805.27 g/mol, XLogP of 29.38, 32 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-chloro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(difluoromethylsulfanyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 158813362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).