4-[3-chloro-5-[[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide

C22H18Cl2F3N5O3 — CID 71042896

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

4-[3-chloro-5-[[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 71042896) has the molecular formula C22H18Cl2F3N5O3 and a molecular weight of 528.32 g/mol. Its IUPAC name is 4-[3-chloro-5-[[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[3-chloro-5-[[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
• PubChem CID: 71042896
• Molecular Formula: C22H18Cl2F3N5O3
• Molecular Weight: 528.32 g/mol
• Exact Mass: 527.07
• IUPAC Name: 4-[3-chloro-5-[[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
• SMILES: O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)N1CC=C(c2ncc(Cc3nnc(CO)o3)cc2Cl)CC1
• InChI: InChI=1S/C22H18Cl2F3N5O3/c23-16-9-14(1-2-15(16)22(25,26)27)29-21(34)32-5-3-13(4-6-32)20-17(24)7-12(10-28-20)8-18-30-31-19(11-33)35-18/h1-3,7,9-10,33H,4-6,8,11H2,(H,29,34)
• InChIKey: FPQUUTWLGYAEPR-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 104.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.32
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[3-chloro-5-[[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 71042896) is 4-[3-chloro-5-[[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

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

The canonical SMILES for 4-[3-chloro-5-[[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)N1CC=C(c2ncc(Cc3nnc(CO)o3)cc2Cl)CC1.

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

The InChIKey is FPQUUTWLGYAEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2F3N5O3/c23-16-9-14(1-2-15(16)22(25,26)27)29-21(34)32-5-3-13(4-6-32)20-17(24)7-12(10-28-20)8-18-30-31-19(11-33)35-18/h1-3,7,9-10,33H,4-6,8,11H2,(H,29,34).

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

4-[3-chloro-5-[[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 528.32 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-chloro-5-[[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 71042896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).