2-amino-4-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

C20H11F3N4O2 — CID 169393760

IUPAC2-amino-4-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccc(F)cc1OCc1cc(F)cc(F)c1
InChIInChI=1S/C20H11F3N4O2/c21-11-1-2-14(18-15(7-24)19(26)27-20(28)16(18)8-25)17(6-11)29-9-10-3-12(22)5-13(23)4-10/h1-6H,9H2,(H3,26,27,28)
InChIKeyIXVPXZQDCZJNSW-UHFFFAOYSA-N
MW396.33 g/mol
LogP3.36
Rot. Bonds4

About 2-amino-4-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169393760) has the molecular formula C20H11F3N4O2 and a molecular weight of 396.33 g/mol. Its IUPAC name is 2-amino-4-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169393760
Molecular FormulaC20H11F3N4O2
Molecular Weight396.33 g/mol
Exact Mass396.08
IUPAC Name2-amino-4-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccc(F)cc1OCc1cc(F)cc(F)c1
InChIInChI=1S/C20H11F3N4O2/c21-11-1-2-14(18-15(7-24)19(26)27-20(28)16(18)8-25)17(6-11)29-9-10-3-12(22)5-13(23)4-10/h1-6H,9H2,(H3,26,27,28)
InChIKeyIXVPXZQDCZJNSW-UHFFFAOYSA-N
XLogP3.36
TPSA115.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.33
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-[2-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393757
2-amino-4-(4-fluoro-2-phenoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395977
2-amino-4-[4-[(3,5-difluorophenoxy)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393733
2-amino-4-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394423
2-amino-4-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394376
2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393716
2-amino-4-(4-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394250
2-amino-4-(2-methyl-4-phenylmethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393316
2-amino-4-(2-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393288
2-amino-4-(3,5-difluoro-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393520
2-amino-6-oxo-4-[4-[(3,4,5-trifluorophenoxy)methyl]phenyl]-1H-pyridine-3,5-dicarbonitrile
CID 169393727
2-amino-6-oxo-4-[2-[(2,3,4-trifluorophenoxy)methyl]phenyl]-1H-pyridine-3,5-dicarbonitrile
CID 169393715

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169393760) is 2-amino-4-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is N#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccc(F)cc1OCc1cc(F)cc(F)c1.
What is the InChIKey of 2-amino-4-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is IXVPXZQDCZJNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3N4O2/c21-11-1-2-14(18-15(7-24)19(26)27-20(28)16(18)8-25)17(6-11)29-9-10-3-12(22)5-13(23)4-10/h1-6H,9H2,(H3,26,27,28).
What are the key properties of 2-amino-4-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 396.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169393760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).