4-[3-chloro-5-[hydroxy-(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]-N-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

C23H25ClF3N5O3 — CID 131969643

About 4-[3-chloro-5-[hydroxy-(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]-N-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

4-[3-chloro-5-[hydroxy-(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]-N-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 131969643) has the molecular formula C23H25ClF3N5O3 and a molecular weight of 511.93 g/mol. Its IUPAC name is 4-[3-chloro-5-[hydroxy-(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]-N-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[3-chloro-5-[hydroxy-(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]-N-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
• PubChem CID: 131969643
• Molecular Formula: C23H25ClF3N5O3
• Molecular Weight: 511.93 g/mol
• Exact Mass: 511.16
• IUPAC Name: 4-[3-chloro-5-[hydroxy-(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]-N-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
• SMILES: CC/C(=C\C=C(/C)NC(=O)N1CC=C(c2ncc(C(O)c3nnc(C)o3)cc2Cl)CC1)C(F)(F)F
• InChI: InChI=1S/C23H25ClF3N5O3/c1-4-17(23(25,26)27)6-5-13(2)29-22(34)32-9-7-15(8-10-32)19-18(24)11-16(12-28-19)20(33)21-31-30-14(3)35-21/h5-7,11-12,20,33H,4,8-10H2,1-3H3,(H,29,34)/b13-5+,17-6+
• InChIKey: PUOBLRUEJCGEIS-BESGBVMASA-N
• XLogP: 5.11
• TPSA: 104.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.93
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-[hydroxy-(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]-N-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The IUPAC name of 4-[3-chloro-5-[hydroxy-(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]-N-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 131969643) is 4-[3-chloro-5-[hydroxy-(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]-N-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.

What is the SMILES notation for 4-[3-chloro-5-[hydroxy-(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]-N-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The canonical SMILES for 4-[3-chloro-5-[hydroxy-(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]-N-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is CC/C(=C\C=C(/C)NC(=O)N1CC=C(c2ncc(C(O)c3nnc(C)o3)cc2Cl)CC1)C(F)(F)F.

What is the InChIKey of 4-[3-chloro-5-[hydroxy-(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]-N-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The InChIKey is PUOBLRUEJCGEIS-BESGBVMASA-N. The full InChI is InChI=1S/C23H25ClF3N5O3/c1-4-17(23(25,26)27)6-5-13(2)29-22(34)32-9-7-15(8-10-32)19-18(24)11-16(12-28-19)20(33)21-31-30-14(3)35-21/h5-7,11-12,20,33H,4,8-10H2,1-3H3,(H,29,34)/b13-5+,17-6+.

What are the key properties of 4-[3-chloro-5-[hydroxy-(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]-N-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?

4-[3-chloro-5-[hydroxy-(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]-N-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 511.93 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-chloro-5-[hydroxy-(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]-N-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 131969643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).