2-chloro-6-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C52H52ClF6N9O5 — CID 159445616

About 2-chloro-6-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

2-chloro-6-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 159445616) has the molecular formula C52H52ClF6N9O5 and a molecular weight of 1032.49 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-6-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
• PubChem CID: 159445616
• Molecular Formula: C52H52ClF6N9O5
• Molecular Weight: 1032.49 g/mol
• Exact Mass: 1031.37
• IUPAC Name: 2-chloro-6-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
• SMILES: Cc1cc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cc(Cl)n1.O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccc(C(F)(F)F)nc1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(C(F)(F)F)nc1
• InChI: InChI=1S/C18H20ClN3O.2C17H16F3N3O2/c1-12-9-15(10-17(19)21-12)18(23)22-16-6-4-13(5-7-16)14-3-2-8-20-11-14;2*18-17(19,20)15-6-3-12(9-22-15)16(24)23-13-4-1-11(2-5-13)14-10-21-7-8-25-14/h4-7,9-10,14,20H,2-3,8,11H2,1H3,(H,22,23);2*1-6,9,14,21H,7-8,10H2,(H,23,24)/t3*14-/m110/s1
• InChIKey: LSSLVBBNKGUFLQ-OFADWJFBSA-N
• XLogP: 9.79
• TPSA: 180.52 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1032.49
LogP ≤ 5	9.79
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?

The IUPAC name of 2-chloro-6-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 159445616) is 2-chloro-6-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

What is the SMILES notation for 2-chloro-6-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?

The canonical SMILES for 2-chloro-6-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1cc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cc(Cl)n1.O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccc(C(F)(F)F)nc1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(C(F)(F)F)nc1.

What is the InChIKey of 2-chloro-6-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?

The InChIKey is LSSLVBBNKGUFLQ-OFADWJFBSA-N. The full InChI is InChI=1S/C18H20ClN3O.2C17H16F3N3O2/c1-12-9-15(10-17(19)21-12)18(23)22-16-6-4-13(5-7-16)14-3-2-8-20-11-14;2*18-17(19,20)15-6-3-12(9-22-15)16(24)23-13-4-1-11(2-5-13)14-10-21-7-8-25-14/h4-7,9-10,14,20H,2-3,8,11H2,1H3,(H,22,23);2*1-6,9,14,21H,7-8,10H2,(H,23,24)/t3*14-/m110/s1.

What are the key properties of 2-chloro-6-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?

2-chloro-6-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 1032.49 g/mol, XLogP of 9.79, 9 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 159445616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).