5-[(3-cyano-4-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide

C20H13F2N3O2 — CID 122539716

IUPAC5-[(3-cyano-4-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
SMILESN#Cc1cc(COc2cnc(C(N)=O)cc2-c2ccc(F)cc2)ccc1F
InChIInChI=1S/C20H13F2N3O2/c21-15-4-2-13(3-5-15)16-8-18(20(24)26)25-10-19(16)27-11-12-1-6-17(22)14(7-12)9-23/h1-8,10H,11H2,(H2,24,26)
InChIKeyOWNGTOXCRYIMPO-UHFFFAOYSA-N
MW365.34 g/mol
LogP3.58
Rot. Bonds5

About 5-[(3-cyano-4-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide

5-[(3-cyano-4-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide (PubChem CID 122539716) has the molecular formula C20H13F2N3O2 and a molecular weight of 365.34 g/mol. Its IUPAC name is 5-[(3-cyano-4-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(3-cyano-4-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
PubChem CID122539716
Molecular FormulaC20H13F2N3O2
Molecular Weight365.34 g/mol
Exact Mass365.10
IUPAC Name5-[(3-cyano-4-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
SMILESN#Cc1cc(COc2cnc(C(N)=O)cc2-c2ccc(F)cc2)ccc1F
InChIInChI=1S/C20H13F2N3O2/c21-15-4-2-13(3-5-15)16-8-18(20(24)26)25-10-19(16)27-11-12-1-6-17(22)14(7-12)9-23/h1-8,10H,11H2,(H2,24,26)
InChIKeyOWNGTOXCRYIMPO-UHFFFAOYSA-N
XLogP3.58
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-5-(imidazo[1,2-a]pyridin-6-ylmethoxy)pyridine-2-carboxamide
CID 122539744
5-[(3-bromo-5-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
CID 122539634
5-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
CID 122539713
4-[(3-cyano-4-fluorophenyl)methoxy]benzamide
CID 103758758
2-fluoro-5-[[4-fluoro-2-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 107882495
2-fluoro-5-[(2-fluoro-3-pyridinyl)oxymethyl]benzonitrile
CID 107889224
2-fluoro-5-[(2-propanoylphenoxy)methyl]benzonitrile
CID 103758745
[2-[(3-cyano-4-fluorophenyl)methoxy]phenyl]boronic acid
CID 107882689
5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile
CID 103768202
2-fluoro-5-[(5-formyl-2-methoxyphenoxy)methyl]benzonitrile
CID 103895057
2-fluoro-5-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile
CID 103758922
5-[(4-cyano-2-fluorophenoxy)methyl]-2-fluorobenzonitrile
CID 103793487

Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyano-4-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(3-cyano-4-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide (CID 122539716) is 5-[(3-cyano-4-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(3-cyano-4-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(3-cyano-4-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide is N#Cc1cc(COc2cnc(C(N)=O)cc2-c2ccc(F)cc2)ccc1F.
What is the InChIKey of 5-[(3-cyano-4-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is OWNGTOXCRYIMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O2/c21-15-4-2-13(3-5-15)16-8-18(20(24)26)25-10-19(16)27-11-12-1-6-17(22)14(7-12)9-23/h1-8,10H,11H2,(H2,24,26).
What are the key properties of 5-[(3-cyano-4-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
5-[(3-cyano-4-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 365.34 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyano-4-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 122539716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).