2-amino-6-oxo-4-(4-phenylmethoxyphenyl)-1H-pyridine-3,5-dicarbonitrile

C20H14N4O2 — CID 169393056

IUPAC2-amino-6-oxo-4-(4-phenylmethoxyphenyl)-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H14N4O2/c21-10-16-18(17(11-22)20(25)24-19(16)23)14-6-8-15(9-7-14)26-12-13-4-2-1-3-5-13/h1-9H,12H2,(H3,23,24,25)
InChIKeyFCVQTHAFSWISQK-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.95
Rot. Bonds4

About 2-amino-6-oxo-4-(4-phenylmethoxyphenyl)-1H-pyridine-3,5-dicarbonitrile

2-amino-6-oxo-4-(4-phenylmethoxyphenyl)-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169393056) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-amino-6-oxo-4-(4-phenylmethoxyphenyl)-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-oxo-4-(4-phenylmethoxyphenyl)-1H-pyridine-3,5-dicarbonitrile
PubChem CID169393056
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name2-amino-6-oxo-4-(4-phenylmethoxyphenyl)-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H14N4O2/c21-10-16-18(17(11-22)20(25)24-19(16)23)14-6-8-15(9-7-14)26-12-13-4-2-1-3-5-13/h1-9H,12H2,(H3,23,24,25)
InChIKeyFCVQTHAFSWISQK-UHFFFAOYSA-N
XLogP2.95
TPSA115.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-oxo-4-[2-(4-phenylmethoxyphenyl)phenyl]-1H-pyridine-3,5-dicarbonitrile
CID 169394120
2-amino-4-[4-[(2-cyanophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393713
2-amino-4-[4-[(3,5-difluorophenoxy)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393733
2-amino-4-(2-methyl-4-phenylmethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393316
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-prop-2-ynoxyphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393291
2-amino-4-[4-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394967
2-amino-4-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395098
2-amino-4-[4-[(4-cyano-2-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394954
2-amino-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394393
2-amino-4-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395911
2-amino-6-oxo-4-[4-(propoxymethyl)phenyl]-1H-pyridine-3,5-dicarbonitrile
CID 169393597

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-oxo-4-(4-phenylmethoxyphenyl)-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-oxo-4-(4-phenylmethoxyphenyl)-1H-pyridine-3,5-dicarbonitrile (CID 169393056) is 2-amino-6-oxo-4-(4-phenylmethoxyphenyl)-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-oxo-4-(4-phenylmethoxyphenyl)-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-oxo-4-(4-phenylmethoxyphenyl)-1H-pyridine-3,5-dicarbonitrile is N#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-amino-6-oxo-4-(4-phenylmethoxyphenyl)-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is FCVQTHAFSWISQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c21-10-16-18(17(11-22)20(25)24-19(16)23)14-6-8-15(9-7-14)26-12-13-4-2-1-3-5-13/h1-9H,12H2,(H3,23,24,25).
What are the key properties of 2-amino-6-oxo-4-(4-phenylmethoxyphenyl)-1H-pyridine-3,5-dicarbonitrile?
2-amino-6-oxo-4-(4-phenylmethoxyphenyl)-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 342.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-oxo-4-(4-phenylmethoxyphenyl)-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169393056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).