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

C20H19F4N3O3 — CID 59334816

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

1-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 59334816) has the molecular formula C20H19F4N3O3 and a molecular weight of 425.38 g/mol. Its IUPAC name is 1-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
• PubChem CID: 59334816
• Molecular Formula: C20H19F4N3O3
• Molecular Weight: 425.38 g/mol
• Exact Mass: 425.14
• IUPAC Name: 1-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
• SMILES: O=C(Nc1ccc(C(F)(F)F)cc1)C1=CCN(c2ncc([C@@H](O)CO)cc2F)CC1
• InChI: InChI=1S/C20H19F4N3O3/c21-16-9-13(17(29)11-28)10-25-18(16)27-7-5-12(6-8-27)19(30)26-15-3-1-14(2-4-15)20(22,23)24/h1-5,9-10,17,28-29H,6-8,11H2,(H,26,30)/t17-/m0/s1
• InChIKey: LXEHLKVKNSHIGB-KRWDZBQOSA-N
• XLogP: 3.04
• TPSA: 85.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.38
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide (CID 59334816) is 1-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide.

What is the SMILES notation for 1-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?

The canonical SMILES for 1-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)C1=CCN(c2ncc([C@@H](O)CO)cc2F)CC1.

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

The InChIKey is LXEHLKVKNSHIGB-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19F4N3O3/c21-16-9-13(17(29)11-28)10-25-18(16)27-7-5-12(6-8-27)19(30)26-15-3-1-14(2-4-15)20(22,23)24/h1-5,9-10,17,28-29H,6-8,11H2,(H,26,30)/t17-/m0/s1.

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

1-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 425.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 59334816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).