3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpyrazine-2-carboxylic acid

C17H14N4O3 — CID 69103155

IUPAC3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpyrazine-2-carboxylic acid
SMILESCn1cc(-c2nc(C(=O)O)c(N)nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C17H14N4O3/c1-21-9-11(7-8-12(21)22)14-13(10-5-3-2-4-6-10)20-16(18)15(19-14)17(23)24/h2-9H,1H3,(H2,18,20)(H,23,24)
InChIKeyATCQCVVEAWJBNL-UHFFFAOYSA-N
MW322.32 g/mol
LogP1.79
Rot. Bonds3

About 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpyrazine-2-carboxylic acid

3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpyrazine-2-carboxylic acid (PubChem CID 69103155) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpyrazine-2-carboxylic acid
PubChem CID69103155
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpyrazine-2-carboxylic acid
SMILESCn1cc(-c2nc(C(=O)O)c(N)nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C17H14N4O3/c1-21-9-11(7-8-12(21)22)14-13(10-5-3-2-4-6-10)20-16(18)15(19-14)17(23)24/h2-9H,1H3,(H2,18,20)(H,23,24)
InChIKeyATCQCVVEAWJBNL-UHFFFAOYSA-N
XLogP1.79
TPSA111.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpyrazine-2-carboxylic acid (CID 69103155) is 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpyrazine-2-carboxylic acid is Cn1cc(-c2nc(C(=O)O)c(N)nc2-c2ccccc2)ccc1=O.
What is the InChIKey of 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpyrazine-2-carboxylic acid?
The InChIKey is ATCQCVVEAWJBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c1-21-9-11(7-8-12(21)22)14-13(10-5-3-2-4-6-10)20-16(18)15(19-14)17(23)24/h2-9H,1H3,(H2,18,20)(H,23,24).
What are the key properties of 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpyrazine-2-carboxylic acid?
3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpyrazine-2-carboxylic acid has a molecular weight of 322.32 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpyrazine-2-carboxylic acid is sourced from PubChem (CID 69103155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).