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

C21H17ClF3N5O3 — CID 71042802

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

4-[2-chloro-4-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 71042802) has the molecular formula C21H17ClF3N5O3 and a molecular weight of 479.85 g/mol. Its IUPAC name is 4-[2-chloro-4-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[2-chloro-4-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
• PubChem CID: 71042802
• Molecular Formula: C21H17ClF3N5O3
• Molecular Weight: 479.85 g/mol
• Exact Mass: 479.10
• IUPAC Name: 4-[2-chloro-4-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
• SMILES: O=C(Nc1ccc(C(F)(F)F)cn1)N1CC=C(c2ccc(-c3nnc(CO)o3)cc2Cl)CC1
• InChI: InChI=1S/C21H17ClF3N5O3/c22-16-9-13(19-29-28-18(11-31)33-19)1-3-15(16)12-5-7-30(8-6-12)20(32)27-17-4-2-14(10-26-17)21(23,24)25/h1-5,9-10,31H,6-8,11H2,(H,26,27,32)
• InChIKey: ADYQLIPXADDJJI-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 104.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.85
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[2-chloro-4-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 71042802) is 4-[2-chloro-4-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

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

The canonical SMILES for 4-[2-chloro-4-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cn1)N1CC=C(c2ccc(-c3nnc(CO)o3)cc2Cl)CC1.

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

The InChIKey is ADYQLIPXADDJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N5O3/c22-16-9-13(19-29-28-18(11-31)33-19)1-3-15(16)12-5-7-30(8-6-12)20(32)27-17-4-2-14(10-26-17)21(23,24)25/h1-5,9-10,31H,6-8,11H2,(H,26,27,32).

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

4-[2-chloro-4-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 479.85 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-chloro-4-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 71042802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).