6-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]-4-[(1R)-1,2-dihydroxyethyl]pyridine-2-carboxamide

C22H16F3N3O4 — CID 56943393

IUPAC6-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]-4-[(1R)-1,2-dihydroxyethyl]pyridine-2-carboxamide
SMILESN#Cc1cc(Oc2ccc(-c3cc([C@@H](O)CO)cc(C(N)=O)n3)cc2)ccc1C(F)(F)F
InChIInChI=1S/C22H16F3N3O4/c23-22(24,25)17-6-5-16(7-14(17)10-26)32-15-3-1-12(2-4-15)18-8-13(20(30)11-29)9-19(28-18)21(27)31/h1-9,20,29-30H,11H2,(H2,27,31)/t20-/m0/s1
InChIKeyQXZMAXGAYCCQOI-FQEVSTJZSA-N
MW443.38 g/mol
LogP3.56
Rot. Bonds6

About 6-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]-4-[(1R)-1,2-dihydroxyethyl]pyridine-2-carboxamide

6-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]-4-[(1R)-1,2-dihydroxyethyl]pyridine-2-carboxamide (PubChem CID 56943393) has the molecular formula C22H16F3N3O4 and a molecular weight of 443.38 g/mol. Its IUPAC name is 6-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]-4-[(1R)-1,2-dihydroxyethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]-4-[(1R)-1,2-dihydroxyethyl]pyridine-2-carboxamide
PubChem CID56943393
Molecular FormulaC22H16F3N3O4
Molecular Weight443.38 g/mol
Exact Mass443.11
IUPAC Name6-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]-4-[(1R)-1,2-dihydroxyethyl]pyridine-2-carboxamide
SMILESN#Cc1cc(Oc2ccc(-c3cc([C@@H](O)CO)cc(C(N)=O)n3)cc2)ccc1C(F)(F)F
InChIInChI=1S/C22H16F3N3O4/c23-22(24,25)17-6-5-16(7-14(17)10-26)32-15-3-1-12(2-4-15)18-8-13(20(30)11-29)9-19(28-18)21(27)31/h1-9,20,29-30H,11H2,(H2,27,31)/t20-/m0/s1
InChIKeyQXZMAXGAYCCQOI-FQEVSTJZSA-N
XLogP3.56
TPSA129.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.38
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]-4-[(1R)-1,2-dihydroxyethyl]pyridine-2-carboxamide?
The IUPAC name of 6-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]-4-[(1R)-1,2-dihydroxyethyl]pyridine-2-carboxamide (CID 56943393) is 6-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]-4-[(1R)-1,2-dihydroxyethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]-4-[(1R)-1,2-dihydroxyethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]-4-[(1R)-1,2-dihydroxyethyl]pyridine-2-carboxamide is N#Cc1cc(Oc2ccc(-c3cc([C@@H](O)CO)cc(C(N)=O)n3)cc2)ccc1C(F)(F)F.
What is the InChIKey of 6-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]-4-[(1R)-1,2-dihydroxyethyl]pyridine-2-carboxamide?
The InChIKey is QXZMAXGAYCCQOI-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H16F3N3O4/c23-22(24,25)17-6-5-16(7-14(17)10-26)32-15-3-1-12(2-4-15)18-8-13(20(30)11-29)9-19(28-18)21(27)31/h1-9,20,29-30H,11H2,(H2,27,31)/t20-/m0/s1.
What are the key properties of 6-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]-4-[(1R)-1,2-dihydroxyethyl]pyridine-2-carboxamide?
6-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]-4-[(1R)-1,2-dihydroxyethyl]pyridine-2-carboxamide has a molecular weight of 443.38 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]-4-[(1R)-1,2-dihydroxyethyl]pyridine-2-carboxamide is sourced from PubChem (CID 56943393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).