4-[(1R)-1,2-dihydroxyethyl]-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide

C20H16F3N3O4 — CID 66799652

IUPAC4-[(1R)-1,2-dihydroxyethyl]-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc([C@@H](O)CO)cc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1
InChIInChI=1S/C20H16F3N3O4/c21-20(22,23)13-3-6-18(25-9-13)30-14-4-1-11(2-5-14)15-7-12(17(28)10-27)8-16(26-15)19(24)29/h1-9,17,27-28H,10H2,(H2,24,29)/t17-/m0/s1
InChIKeyOAYJPXIPEOHSKH-KRWDZBQOSA-N
MW419.36 g/mol
LogP3.08
Rot. Bonds6

About 4-[(1R)-1,2-dihydroxyethyl]-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide

4-[(1R)-1,2-dihydroxyethyl]-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide (PubChem CID 66799652) has the molecular formula C20H16F3N3O4 and a molecular weight of 419.36 g/mol. Its IUPAC name is 4-[(1R)-1,2-dihydroxyethyl]-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(1R)-1,2-dihydroxyethyl]-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide
PubChem CID66799652
Molecular FormulaC20H16F3N3O4
Molecular Weight419.36 g/mol
Exact Mass419.11
IUPAC Name4-[(1R)-1,2-dihydroxyethyl]-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc([C@@H](O)CO)cc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1
InChIInChI=1S/C20H16F3N3O4/c21-20(22,23)13-3-6-18(25-9-13)30-14-4-1-11(2-5-14)15-7-12(17(28)10-27)8-16(26-15)19(24)29/h1-9,17,27-28H,10H2,(H2,24,29)/t17-/m0/s1
InChIKeyOAYJPXIPEOHSKH-KRWDZBQOSA-N
XLogP3.08
TPSA118.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1,2-dihydroxyethyl]-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-[(1R)-1,2-dihydroxyethyl]-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide (CID 66799652) is 4-[(1R)-1,2-dihydroxyethyl]-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(1R)-1,2-dihydroxyethyl]-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[(1R)-1,2-dihydroxyethyl]-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide is NC(=O)c1cc([C@@H](O)CO)cc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1.
What is the InChIKey of 4-[(1R)-1,2-dihydroxyethyl]-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide?
The InChIKey is OAYJPXIPEOHSKH-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H16F3N3O4/c21-20(22,23)13-3-6-18(25-9-13)30-14-4-1-11(2-5-14)15-7-12(17(28)10-27)8-16(26-15)19(24)29/h1-9,17,27-28H,10H2,(H2,24,29)/t17-/m0/s1.
What are the key properties of 4-[(1R)-1,2-dihydroxyethyl]-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide?
4-[(1R)-1,2-dihydroxyethyl]-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide has a molecular weight of 419.36 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1,2-dihydroxyethyl]-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 66799652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).