6-(3-acetamidopyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-tert-butylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-ethylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[3-(dimethylamino)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C138H132Cl3F15N32O13 — CID 160968397

About 6-(3-acetamidopyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-tert-butylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-ethylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[3-(dimethylamino)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

6-(3-acetamidopyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-tert-butylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-ethylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[3-(dimethylamino)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 160968397) has the molecular formula C138H132Cl3F15N32O13 and a molecular weight of 2838.11 g/mol. Its IUPAC name is 6-(3-acetamidopyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-tert-butylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-ethylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[3-(dimethylamino)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(3-acetamidopyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-tert-butylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-ethylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[3-(dimethylamino)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
• PubChem CID: 160968397
• Molecular Formula: C138H132Cl3F15N32O13
• Molecular Weight: 2838.11 g/mol
• Exact Mass: 2834.95
• IUPAC Name: 6-(3-acetamidopyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-tert-butylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-ethylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[3-(dimethylamino)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
• SMILES: CC(=O)NC1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1.CC(C)(C)C1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1.CC[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2cncnc2)C1.CN(C)C1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2cncnc2)C1.C[C@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2cncnc2)C1
• InChI: InChI=1S/C25H26F3N5O2.C23H22ClF2N5O2.C23H21F3N6O3.C23H23F3N6O2.2C22H20ClF2N5O2/c1-24(2,3)18-8-9-33(14-18)22-21(17-11-29-15-30-12-17)10-16(13-31-22)23(34)32-19-4-6-20(7-5-19)35-25(26,27)28;1-2-15-7-8-31(13-15)21-20(17-10-27-14-28-11-17)9-16(12-29-21)22(32)30-18-3-5-19(6-4-18)33-23(24,25)26;1-14(33)30-18-6-7-32(12-18)21-20(16-9-27-13-28-10-16)8-15(11-29-21)22(34)31-17-2-4-19(5-3-17)35-23(24,25)26;1-31(2)18-7-8-32(13-18)21-20(16-10-27-14-28-11-16)9-15(12-29-21)22(33)30-17-3-5-19(6-4-17)34-23(24,25)26;2*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)32-22(23,24)25/h4-7,10-13,15,18H,8-9,14H2,1-3H3,(H,32,34);3-6,9-12,14-15H,2,7-8,13H2,1H3,(H,30,32);2-5,8-11,13,18H,6-7,12H2,1H3,(H,30,33)(H,31,34);3-6,9-12,14,18H,7-8,13H2,1-2H3,(H,30,33);2*2-5,8-11,13-14H,6-7,12H2,1H3,(H,29,31)/t;15-;;;2*14-/m.1..10/s1
• InChIKey: SXXSMXGJQKXCGM-FREZSANISA-N
• XLogP: 27.60
• TPSA: 513.78 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 38
• Rotatable Bonds: 36
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2838.11
LogP ≤ 5	27.60
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetamidopyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-tert-butylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-ethylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[3-(dimethylamino)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?

The IUPAC name of 6-(3-acetamidopyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-tert-butylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-ethylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[3-(dimethylamino)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 160968397) is 6-(3-acetamidopyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-tert-butylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-ethylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[3-(dimethylamino)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-(3-acetamidopyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-tert-butylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-ethylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[3-(dimethylamino)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?

The canonical SMILES for 6-(3-acetamidopyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-tert-butylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-ethylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[3-(dimethylamino)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is CC(=O)NC1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1.CC(C)(C)C1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1.CC[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2cncnc2)C1.CN(C)C1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2cncnc2)C1.C[C@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2cncnc2)C1.

What is the InChIKey of 6-(3-acetamidopyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-tert-butylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-ethylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[3-(dimethylamino)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?

The InChIKey is SXXSMXGJQKXCGM-FREZSANISA-N. The full InChI is InChI=1S/C25H26F3N5O2.C23H22ClF2N5O2.C23H21F3N6O3.C23H23F3N6O2.2C22H20ClF2N5O2/c1-24(2,3)18-8-9-33(14-18)22-21(17-11-29-15-30-12-17)10-16(13-31-22)23(34)32-19-4-6-20(7-5-19)35-25(26,27)28;1-2-15-7-8-31(13-15)21-20(17-10-27-14-28-11-17)9-16(12-29-21)22(32)30-18-3-5-19(6-4-18)33-23(24,25)26;1-14(33)30-18-6-7-32(12-18)21-20(16-9-27-13-28-10-16)8-15(11-29-21)22(34)31-17-2-4-19(5-3-17)35-23(24,25)26;1-31(2)18-7-8-32(13-18)21-20(16-10-27-14-28-11-16)9-15(12-29-21)22(33)30-17-3-5-19(6-4-17)34-23(24,25)26;2*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)32-22(23,24)25/h4-7,10-13,15,18H,8-9,14H2,1-3H3,(H,32,34);3-6,9-12,14-15H,2,7-8,13H2,1H3,(H,30,32);2-5,8-11,13,18H,6-7,12H2,1H3,(H,30,33)(H,31,34);3-6,9-12,14,18H,7-8,13H2,1-2H3,(H,30,33);2*2-5,8-11,13-14H,6-7,12H2,1H3,(H,29,31)/t;15-;;;2*14-/m.1..10/s1.

What are the key properties of 6-(3-acetamidopyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-tert-butylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-ethylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[3-(dimethylamino)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?

6-(3-acetamidopyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-tert-butylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-ethylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[3-(dimethylamino)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 2838.11 g/mol, XLogP of 27.60, 36 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-acetamidopyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-tert-butylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-ethylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[3-(dimethylamino)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 160968397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).