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

C14H10N4O2 — CID 12711610

IUPAC2-amino-4-(4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C14H10N4O2/c1-20-9-4-2-8(3-5-9)12-10(6-15)13(17)18-14(19)11(12)7-16/h2-5H,1H3,(H3,17,18,19)
InChIKeyLHVCKOKUYXXLOS-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.38
Rot. Bonds2

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

2-amino-4-(4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 12711610) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-amino-4-(4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID12711610
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name2-amino-4-(4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C14H10N4O2/c1-20-9-4-2-8(3-5-9)12-10(6-15)13(17)18-14(19)11(12)7-16/h2-5H,1H3,(H3,17,18,19)
InChIKeyLHVCKOKUYXXLOS-UHFFFAOYSA-N
XLogP1.38
TPSA115.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Cyano-3-(2-methoxyphenyl)-2-propenamide
CID 711483
(2E)-2-cyano-3-(4-methoxyphenyl)prop-2-enamide
CID 720193
6-[(E)-2-(3-methoxyphenyl)ethenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 134433751
6-Amino-5-(4-methoxybenzyl)-2,4-pyrimidinediol
CID 388637
6-Amino-4-(4-methoxyphenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile
CID 4161738
7-Amino-5-(4-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
CID 4631551
2-Hydroxy-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 856276
2-Cyano-3-(4-methoxyphenyl)prop-2-enamide
CID 263678
2-Amino-4-hydroxy-6-(4-methoxyphenyl)pyrimidine-5-carbonitrile
CID 135528344
Alpha-cyano-2-methoxycinnamamide
CID 711486
(2Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enamide
CID 720195
2-acetyl-4-(4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 2797741

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 12711610) is 2-amino-4-(4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is COc1ccc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)cc1.
What is the InChIKey of 2-amino-4-(4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is LHVCKOKUYXXLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c1-20-9-4-2-8(3-5-9)12-10(6-15)13(17)18-14(19)11(12)7-16/h2-5H,1H3,(H3,17,18,19).
What are the key properties of 2-amino-4-(4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-(4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 266.26 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 12711610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).