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

C22H18Cl2F3N5O4 — CID 71042799

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

4-[3-chloro-5-[5-[(1R)-1,2-dihydroxyethyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 71042799) has the molecular formula C22H18Cl2F3N5O4 and a molecular weight of 544.32 g/mol. Its IUPAC name is 4-[3-chloro-5-[5-[(1R)-1,2-dihydroxyethyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[3-chloro-5-[5-[(1R)-1,2-dihydroxyethyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
• PubChem CID: 71042799
• Molecular Formula: C22H18Cl2F3N5O4
• Molecular Weight: 544.32 g/mol
• Exact Mass: 543.07
• IUPAC Name: 4-[3-chloro-5-[5-[(1R)-1,2-dihydroxyethyl]-1,3,4-oxadiazol-2-yl]-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(-c3nnc([C@H](O)CO)o3)cc2Cl)CC1
• InChI: InChI=1S/C22H18Cl2F3N5O4/c23-15-8-13(1-2-14(15)22(25,26)27)29-21(35)32-5-3-11(4-6-32)18-16(24)7-12(9-28-18)19-30-31-20(36-19)17(34)10-33/h1-3,7-9,17,33-34H,4-6,10H2,(H,29,35)/t17-/m1/s1
• InChIKey: MGTBNSVODKKXJJ-QGZVFWFLSA-N
• XLogP: 4.80
• TPSA: 124.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.32
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[3-chloro-5-[5-[(1R)-1,2-dihydroxyethyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 71042799) is 4-[3-chloro-5-[5-[(1R)-1,2-dihydroxyethyl]-1,3,4-oxadiazol-2-yl]-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-[(1R)-1,2-dihydroxyethyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The canonical SMILES for 4-[3-chloro-5-[5-[(1R)-1,2-dihydroxyethyl]-1,3,4-oxadiazol-2-yl]-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(-c3nnc([C@H](O)CO)o3)cc2Cl)CC1.

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

The InChIKey is MGTBNSVODKKXJJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H18Cl2F3N5O4/c23-15-8-13(1-2-14(15)22(25,26)27)29-21(35)32-5-3-11(4-6-32)18-16(24)7-12(9-28-18)19-30-31-20(36-19)17(34)10-33/h1-3,7-9,17,33-34H,4-6,10H2,(H,29,35)/t17-/m1/s1.

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

4-[3-chloro-5-[5-[(1R)-1,2-dihydroxyethyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 544.32 g/mol, XLogP of 4.80, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-chloro-5-[5-[(1R)-1,2-dihydroxyethyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 71042799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).