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

C21H13N5O2 — CID 169393713

IUPAC2-amino-4-[4-[(2-cyanophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1ccccc1COc1ccc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C21H13N5O2/c22-9-14-3-1-2-4-15(14)12-28-16-7-5-13(6-8-16)19-17(10-23)20(25)26-21(27)18(19)11-24/h1-8H,12H2,(H3,25,26,27)
InChIKeyZIJLTPRJFVGLFX-UHFFFAOYSA-N
MW367.37 g/mol
LogP2.82
Rot. Bonds4

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

2-amino-4-[4-[(2-cyanophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169393713) has the molecular formula C21H13N5O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is 2-amino-4-[4-[(2-cyanophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[4-[(2-cyanophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169393713
Molecular FormulaC21H13N5O2
Molecular Weight367.37 g/mol
Exact Mass367.11
IUPAC Name2-amino-4-[4-[(2-cyanophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1ccccc1COc1ccc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C21H13N5O2/c22-9-14-3-1-2-4-15(14)12-28-16-7-5-13(6-8-16)19-17(10-23)20(25)26-21(27)18(19)11-24/h1-8H,12H2,(H3,25,26,27)
InChIKeyZIJLTPRJFVGLFX-UHFFFAOYSA-N
XLogP2.82
TPSA139.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-[4-[(2-cyanophenyl)methoxy]phenyl]-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-6-oxo-4-(4-phenylmethoxyphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393056
2-amino-4-[4-[(4-cyano-2-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394954
2-amino-6-oxo-4-(4-prop-2-ynoxyphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393291
2-amino-6-oxo-4-[2-(4-phenylmethoxyphenyl)phenyl]-1H-pyridine-3,5-dicarbonitrile
CID 169394120
2-amino-4-[4-[(3,5-difluorophenoxy)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393733
2-amino-4-[4-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394967
2-amino-6-oxo-4-[4-[(3,4,5-trifluorophenoxy)methyl]phenyl]-1H-pyridine-3,5-dicarbonitrile
CID 169393727
2-amino-4-[4-(3-morpholin-4-ylpropoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394698
2-[[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]benzonitrile
CID 168551260
2-amino-4-[3-[(2,5-difluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393488
2-amino-4-[3-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393626
2-amino-4-[3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394054

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-[(2-cyanophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[4-[(2-cyanophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169393713) is 2-amino-4-[4-[(2-cyanophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[4-[(2-cyanophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[4-[(2-cyanophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is N#Cc1ccccc1COc1ccc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)cc1.
What is the InChIKey of 2-amino-4-[4-[(2-cyanophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is ZIJLTPRJFVGLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N5O2/c22-9-14-3-1-2-4-15(14)12-28-16-7-5-13(6-8-16)19-17(10-23)20(25)26-21(27)18(19)11-24/h1-8H,12H2,(H3,25,26,27).
What are the key properties of 2-amino-4-[4-[(2-cyanophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-[4-[(2-cyanophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 367.37 g/mol, XLogP of 2.82, 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-[(2-cyanophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169393713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).