6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide;4-(4-chlorophenoxy)-N-(4-morpholin-2-ylphenyl)benzamide;N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C57H55Cl2F3N8O7 — CID 159261341

About 6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide;4-(4-chlorophenoxy)-N-(4-morpholin-2-ylphenyl)benzamide;N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide;4-(4-chlorophenoxy)-N-(4-morpholin-2-ylphenyl)benzamide;N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 159261341) has the molecular formula C57H55Cl2F3N8O7 and a molecular weight of 1092.02 g/mol. Its IUPAC name is 6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide;4-(4-chlorophenoxy)-N-(4-morpholin-2-ylphenyl)benzamide;N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide;4-(4-chlorophenoxy)-N-(4-morpholin-2-ylphenyl)benzamide;N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
• PubChem CID: 159261341
• Molecular Formula: C57H55Cl2F3N8O7
• Molecular Weight: 1092.02 g/mol
• Exact Mass: 1090.35
• IUPAC Name: 6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide;4-(4-chlorophenoxy)-N-(4-morpholin-2-ylphenyl)benzamide;N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
• SMILES: O=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1.O=C(Nc1ccc([C@@H]2CCNC2)cc1)c1ccc(OCC(F)(F)F)nc1.O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccc(Cl)nc1
• InChI: InChI=1S/C23H21ClN2O3.C18H18F3N3O2.C16H16ClN3O2/c24-18-5-11-21(12-6-18)29-20-9-3-17(4-10-20)23(27)26-19-7-1-16(2-8-19)22-15-25-13-14-28-22;19-18(20,21)11-26-16-6-3-14(10-23-16)17(25)24-15-4-1-12(2-5-15)13-7-8-22-9-13;17-15-6-3-12(9-19-15)16(21)20-13-4-1-11(2-5-13)14-10-18-7-8-22-14/h1-12,22,25H,13-15H2,(H,26,27);1-6,10,13,22H,7-9,11H2,(H,24,25);1-6,9,14,18H,7-8,10H2,(H,20,21)/t;13-;14-/m.10/s1
• InChIKey: KWNWELLHEKNUIE-KHSFCNBSSA-N
• XLogP: 11.05
• TPSA: 186.09 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1092.02
LogP ≤ 5	11.05
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide;4-(4-chlorophenoxy)-N-(4-morpholin-2-ylphenyl)benzamide;N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

The IUPAC name of 6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide;4-(4-chlorophenoxy)-N-(4-morpholin-2-ylphenyl)benzamide;N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 159261341) is 6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide;4-(4-chlorophenoxy)-N-(4-morpholin-2-ylphenyl)benzamide;N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

What is the SMILES notation for 6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide;4-(4-chlorophenoxy)-N-(4-morpholin-2-ylphenyl)benzamide;N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

The canonical SMILES for 6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide;4-(4-chlorophenoxy)-N-(4-morpholin-2-ylphenyl)benzamide;N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1.O=C(Nc1ccc([C@@H]2CCNC2)cc1)c1ccc(OCC(F)(F)F)nc1.O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccc(Cl)nc1.

What is the InChIKey of 6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide;4-(4-chlorophenoxy)-N-(4-morpholin-2-ylphenyl)benzamide;N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

The InChIKey is KWNWELLHEKNUIE-KHSFCNBSSA-N. The full InChI is InChI=1S/C23H21ClN2O3.C18H18F3N3O2.C16H16ClN3O2/c24-18-5-11-21(12-6-18)29-20-9-3-17(4-10-20)23(27)26-19-7-1-16(2-8-19)22-15-25-13-14-28-22;19-18(20,21)11-26-16-6-3-14(10-23-16)17(25)24-15-4-1-12(2-5-15)13-7-8-22-9-13;17-15-6-3-12(9-19-15)16(21)20-13-4-1-11(2-5-13)14-10-18-7-8-22-14/h1-12,22,25H,13-15H2,(H,26,27);1-6,10,13,22H,7-9,11H2,(H,24,25);1-6,9,14,18H,7-8,10H2,(H,20,21)/t;13-;14-/m.10/s1.

What are the key properties of 6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide;4-(4-chlorophenoxy)-N-(4-morpholin-2-ylphenyl)benzamide;N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide;4-(4-chlorophenoxy)-N-(4-morpholin-2-ylphenyl)benzamide;N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 1092.02 g/mol, XLogP of 11.05, 13 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide;4-(4-chlorophenoxy)-N-(4-morpholin-2-ylphenyl)benzamide;N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 159261341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).