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

C22H19F4N5O3 — CID 71042664

IUPAC4-[3-fluoro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1cc(NC(=O)N2CC=C(c3ncc(-c4nc(CO)no4)cc3F)CC2)ccc1C(F)(F)F
InChIInChI=1S/C22H19F4N5O3/c1-12-8-15(2-3-16(12)22(24,25)26)28-21(33)31-6-4-13(5-7-31)19-17(23)9-14(10-27-19)20-29-18(11-32)30-34-20/h2-4,8-10,32H,5-7,11H2,1H3,(H,28,33)
InChIKeyQWEIPMGKWRCBRX-UHFFFAOYSA-N
MW477.42 g/mol
LogP4.41
Rot. Bonds4

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

4-[3-fluoro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 71042664) has the molecular formula C22H19F4N5O3 and a molecular weight of 477.42 g/mol. Its IUPAC name is 4-[3-fluoro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-[3-fluoro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID71042664
Molecular FormulaC22H19F4N5O3
Molecular Weight477.42 g/mol
Exact Mass477.14
IUPAC Name4-[3-fluoro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1cc(NC(=O)N2CC=C(c3ncc(-c4nc(CO)no4)cc3F)CC2)ccc1C(F)(F)F
InChIInChI=1S/C22H19F4N5O3/c1-12-8-15(2-3-16(12)22(24,25)26)28-21(33)31-6-4-13(5-7-31)19-17(23)9-14(10-27-19)20-29-18(11-32)30-34-20/h2-4,8-10,32H,5-7,11H2,1H3,(H,28,33)
InChIKeyQWEIPMGKWRCBRX-UHFFFAOYSA-N
XLogP4.41
TPSA104.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.42
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-[3-fluoro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 71042664) is 4-[3-fluoro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-[3-fluoro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-[3-fluoro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is Cc1cc(NC(=O)N2CC=C(c3ncc(-c4nc(CO)no4)cc3F)CC2)ccc1C(F)(F)F.
What is the InChIKey of 4-[3-fluoro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is QWEIPMGKWRCBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4N5O3/c1-12-8-15(2-3-16(12)22(24,25)26)28-21(33)31-6-4-13(5-7-31)19-17(23)9-14(10-27-19)20-29-18(11-32)30-34-20/h2-4,8-10,32H,5-7,11H2,1H3,(H,28,33).
What are the key properties of 4-[3-fluoro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
4-[3-fluoro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 477.42 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 71042664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).