methyl 2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-3,5-dimethoxybenzoate

C17H14N4O5 — CID 169393810

IUPACmethyl 2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-3,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)cc(OC)c1-c1c(C#N)c(N)[nH]c(=O)c1C#N
InChIInChI=1S/C17H14N4O5/c1-24-8-4-9(17(23)26-3)14(12(5-8)25-2)13-10(6-18)15(20)21-16(22)11(13)7-19/h4-5H,1-3H3,(H3,20,21,22)
InChIKeyPSUDNJQJSXGIDU-UHFFFAOYSA-N
MW354.32 g/mol
LogP1.17
Rot. Bonds4

About methyl 2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-3,5-dimethoxybenzoate

methyl 2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-3,5-dimethoxybenzoate (PubChem CID 169393810) has the molecular formula C17H14N4O5 and a molecular weight of 354.32 g/mol. Its IUPAC name is methyl 2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-3,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-3,5-dimethoxybenzoate
PubChem CID169393810
Molecular FormulaC17H14N4O5
Molecular Weight354.32 g/mol
Exact Mass354.10
IUPAC Namemethyl 2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-3,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)cc(OC)c1-c1c(C#N)c(N)[nH]c(=O)c1C#N
InChIInChI=1S/C17H14N4O5/c1-24-8-4-9(17(23)26-3)14(12(5-8)25-2)13-10(6-18)15(20)21-16(22)11(13)7-19/h4-5H,1-3H3,(H3,20,21,22)
InChIKeyPSUDNJQJSXGIDU-UHFFFAOYSA-N
XLogP1.17
TPSA151.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-methoxybenzoic acid
CID 169394934
[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-methoxyphenyl] acetate
CID 169393074
2-amino-5,7-dimethoxy-1H-indole-3-carbonitrile
CID 166518306
2-amino-4-(2-bromo-5-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393111
2-amino-4-[2-methoxy-5-(trifluoromethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393218
2-amino-4-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393173
2-amino-4-(5-chloro-2-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393229
2-amino-4-[2-(3-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393888
[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-chloro-6-methoxyphenyl] acetate
CID 169394543
methyl 3-bromo-2-cyano-5-methoxybenzoate
CID 131390372
2-amino-4-(3-iodo-4,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393341
2-amino-4-[3-(4-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393882

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-3,5-dimethoxybenzoate?
The IUPAC name of methyl 2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-3,5-dimethoxybenzoate (CID 169393810) is methyl 2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-3,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-3,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-3,5-dimethoxybenzoate is COC(=O)c1cc(OC)cc(OC)c1-c1c(C#N)c(N)[nH]c(=O)c1C#N.
What is the InChIKey of methyl 2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-3,5-dimethoxybenzoate?
The InChIKey is PSUDNJQJSXGIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O5/c1-24-8-4-9(17(23)26-3)14(12(5-8)25-2)13-10(6-18)15(20)21-16(22)11(13)7-19/h4-5H,1-3H3,(H3,20,21,22).
What are the key properties of methyl 2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-3,5-dimethoxybenzoate?
methyl 2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-3,5-dimethoxybenzoate has a molecular weight of 354.32 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-3,5-dimethoxybenzoate is sourced from PubChem (CID 169393810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).