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

C21H12FN5O2 — CID 169394954

IUPAC2-amino-4-[4-[(4-cyano-2-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1ccc(COc2ccc(-c3c(C#N)c(N)[nH]c(=O)c3C#N)cc2)c(F)c1
InChIInChI=1S/C21H12FN5O2/c22-18-7-12(8-23)1-2-14(18)11-29-15-5-3-13(4-6-15)19-16(9-24)20(26)27-21(28)17(19)10-25/h1-7H,11H2,(H3,26,27,28)
InChIKeyFBBBIHIAVAYATE-UHFFFAOYSA-N
MW385.36 g/mol
LogP2.96
Rot. Bonds4

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

2-amino-4-[4-[(4-cyano-2-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169394954) has the molecular formula C21H12FN5O2 and a molecular weight of 385.36 g/mol. Its IUPAC name is 2-amino-4-[4-[(4-cyano-2-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[4-[(4-cyano-2-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169394954
Molecular FormulaC21H12FN5O2
Molecular Weight385.36 g/mol
Exact Mass385.10
IUPAC Name2-amino-4-[4-[(4-cyano-2-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1ccc(COc2ccc(-c3c(C#N)c(N)[nH]c(=O)c3C#N)cc2)c(F)c1
InChIInChI=1S/C21H12FN5O2/c22-18-7-12(8-23)1-2-14(18)11-29-15-5-3-13(4-6-15)19-16(9-24)20(26)27-21(28)17(19)10-25/h1-7H,11H2,(H3,26,27,28)
InChIKeyFBBBIHIAVAYATE-UHFFFAOYSA-N
XLogP2.96
TPSA139.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-[3-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393626
2-amino-4-[4-[(2-cyanophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393713
2-amino-6-oxo-4-[4-[(3,4,5-trifluorophenoxy)methyl]phenyl]-1H-pyridine-3,5-dicarbonitrile
CID 169393727
2-amino-6-oxo-4-(4-phenylmethoxyphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393056
2-amino-6-oxo-4-(4-prop-2-ynoxyphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393291
2-amino-4-[4-[(3,5-difluorophenoxy)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393733
2-amino-4-[3-[(2,5-difluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393488
2-amino-4-(4-ethynyl-2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395735
2-amino-4-[4-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394967
2-amino-6-oxo-4-[2-(4-phenylmethoxyphenyl)phenyl]-1H-pyridine-3,5-dicarbonitrile
CID 169394120
2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393716
2-amino-4-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393173

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-[(4-cyano-2-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[4-[(4-cyano-2-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169394954) is 2-amino-4-[4-[(4-cyano-2-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[4-[(4-cyano-2-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[4-[(4-cyano-2-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is N#Cc1ccc(COc2ccc(-c3c(C#N)c(N)[nH]c(=O)c3C#N)cc2)c(F)c1.
What is the InChIKey of 2-amino-4-[4-[(4-cyano-2-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is FBBBIHIAVAYATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12FN5O2/c22-18-7-12(8-23)1-2-14(18)11-29-15-5-3-13(4-6-15)19-16(9-24)20(26)27-21(28)17(19)10-25/h1-7H,11H2,(H3,26,27,28).
What are the key properties of 2-amino-4-[4-[(4-cyano-2-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-[4-[(4-cyano-2-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 385.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-[(4-cyano-2-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169394954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).