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

C21H17ClF3N5O3 — CID 71042797

IUPAC4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CC=C(c2ncc(-c3nnc(CO)o3)cc2Cl)CC1
InChIInChI=1S/C21H17ClF3N5O3/c22-16-9-13(19-29-28-17(11-31)33-19)10-26-18(16)12-5-7-30(8-6-12)20(32)27-15-3-1-14(2-4-15)21(23,24)25/h1-5,9-10,31H,6-8,11H2,(H,27,32)
InChIKeyMGKPIARSARPTFV-UHFFFAOYSA-N
MW479.85 g/mol
LogP4.62
Rot. Bonds4

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

4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 71042797) has the molecular formula C21H17ClF3N5O3 and a molecular weight of 479.85 g/mol. Its IUPAC name is 4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID71042797
Molecular FormulaC21H17ClF3N5O3
Molecular Weight479.85 g/mol
Exact Mass479.10
IUPAC Name4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CC=C(c2ncc(-c3nnc(CO)o3)cc2Cl)CC1
InChIInChI=1S/C21H17ClF3N5O3/c22-16-9-13(19-29-28-17(11-31)33-19)10-26-18(16)12-5-7-30(8-6-12)20(32)27-15-3-1-14(2-4-15)21(23,24)25/h1-5,9-10,31H,6-8,11H2,(H,27,32)
InChIKeyMGKPIARSARPTFV-UHFFFAOYSA-N
XLogP4.62
TPSA104.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.85
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-3-methylpyridin-2-yl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71042810
N-(4-tert-butylphenyl)-4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71466725
ethyl 5-chloro-6-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxylate
CID 57770437
4-[3-chloro-5-[5-(2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71015546
4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 71015560
4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl]-N-[3-methyl-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 71015884
1-[2-[[3-Chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl]amino]ethyl]-3-[3-chloro-4-(trifluoromethyl)phenyl]urea
CID 71042671
4-[3-chloro-5-[5-[(1R)-1,2-dihydroxyethyl]-1,3,4-oxadiazol-2-yl]pyridin-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71042799
4-[2-chloro-4-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-[5-(trifluoromethyl)pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71042802
4-[3-chloro-5-[5-(2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl]-N-[3-methyl-4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71042812
4-[3-chloro-5-[5-(2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71042816
4-[3-chloro-5-[[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]methyl]pyridin-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71042896

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[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]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 71042797) is 4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[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]-2-pyridinyl]-N-[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]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CC=C(c2ncc(-c3nnc(CO)o3)cc2Cl)CC1.
What is the InChIKey of 4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is MGKPIARSARPTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N5O3/c22-16-9-13(19-29-28-17(11-31)33-19)10-26-18(16)12-5-7-30(8-6-12)20(32)27-15-3-1-14(2-4-15)21(23,24)25/h1-5,9-10,31H,6-8,11H2,(H,27,32).
What are the key properties of 4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-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-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 71042797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).