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

C15H10N4O4 — CID 169394934

IUPAC3-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1-c1c(C#N)c(N)[nH]c(=O)c1C#N
InChIInChI=1S/C15H10N4O4/c1-23-11-3-2-7(15(21)22)4-8(11)12-9(5-16)13(18)19-14(20)10(12)6-17/h2-4H,1H3,(H,21,22)(H3,18,19,20)
InChIKeyIBNXMSOVQDZXPH-UHFFFAOYSA-N
MW310.27 g/mol
LogP1.07
Rot. Bonds3

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

3-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-methoxybenzoic acid (PubChem CID 169394934) has the molecular formula C15H10N4O4 and a molecular weight of 310.27 g/mol. Its IUPAC name is 3-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-methoxybenzoic acid
PubChem CID169394934
Molecular FormulaC15H10N4O4
Molecular Weight310.27 g/mol
Exact Mass310.07
IUPAC Name3-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1-c1c(C#N)c(N)[nH]c(=O)c1C#N
InChIInChI=1S/C15H10N4O4/c1-23-11-3-2-7(15(21)22)4-8(11)12-9(5-16)13(18)19-14(20)10(12)6-17/h2-4H,1H3,(H,21,22)(H3,18,19,20)
InChIKeyIBNXMSOVQDZXPH-UHFFFAOYSA-N
XLogP1.07
TPSA152.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-(5-chloro-2-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393229
2-amino-4-[2-methoxy-5-(trifluoromethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393218
2-amino-4-(4-methoxy-3-phenylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395414
3-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)benzoic acid
CID 169393283
tert-butyl 3-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-hydroxybenzoate
CID 169395234
[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-methoxyphenyl] acetate
CID 169393074
2-amino-4-(2-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393288
2-amino-4-(2-bromo-5-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393111
2-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-chlorophenoxy]acetic acid
CID 169394440
2-amino-4-(5-methoxy-2-prop-2-ynoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394443
[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-methoxyphenyl] propanoate
CID 169394799
[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)phenyl] acetate
CID 169395905

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-methoxybenzoic acid?
The IUPAC name of 3-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-methoxybenzoic acid (CID 169394934) is 3-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-methoxybenzoic acid.
What is the SMILES notation for 3-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-methoxybenzoic acid?
The canonical SMILES for 3-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1-c1c(C#N)c(N)[nH]c(=O)c1C#N.
What is the InChIKey of 3-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-methoxybenzoic acid?
The InChIKey is IBNXMSOVQDZXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O4/c1-23-11-3-2-7(15(21)22)4-8(11)12-9(5-16)13(18)19-14(20)10(12)6-17/h2-4H,1H3,(H,21,22)(H3,18,19,20).
What are the key properties of 3-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-methoxybenzoic acid?
3-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-methoxybenzoic acid has a molecular weight of 310.27 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-methoxybenzoic acid is sourced from PubChem (CID 169394934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).