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

C19H18N4O3 — CID 69103454

IUPAC3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-5-phenylpyrazine-2-carboxylic acid
SMILESCC(C)n1cc(-c2nc(C(=O)O)c(N)nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C19H18N4O3/c1-11(2)23-10-13(8-9-14(23)24)16-15(12-6-4-3-5-7-12)22-18(20)17(21-16)19(25)26/h3-11H,1-2H3,(H2,20,22)(H,25,26)
InChIKeyYJCPFKCGRVGOSY-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.83
Rot. Bonds4

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

3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-5-phenylpyrazine-2-carboxylic acid (PubChem CID 69103454) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-5-phenylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-5-phenylpyrazine-2-carboxylic acid
PubChem CID69103454
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-5-phenylpyrazine-2-carboxylic acid
SMILESCC(C)n1cc(-c2nc(C(=O)O)c(N)nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C19H18N4O3/c1-11(2)23-10-13(8-9-14(23)24)16-15(12-6-4-3-5-7-12)22-18(20)17(21-16)19(25)26/h3-11H,1-2H3,(H2,20,22)(H,25,26)
InChIKeyYJCPFKCGRVGOSY-UHFFFAOYSA-N
XLogP2.83
TPSA111.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-5-phenylpyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-5-phenylpyrazine-2-carboxylic acid (CID 69103454) is 3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-5-phenylpyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-5-phenylpyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-5-phenylpyrazine-2-carboxylic acid is CC(C)n1cc(-c2nc(C(=O)O)c(N)nc2-c2ccccc2)ccc1=O.
What is the InChIKey of 3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-5-phenylpyrazine-2-carboxylic acid?
The InChIKey is YJCPFKCGRVGOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-11(2)23-10-13(8-9-14(23)24)16-15(12-6-4-3-5-7-12)22-18(20)17(21-16)19(25)26/h3-11H,1-2H3,(H2,20,22)(H,25,26).
What are the key properties of 3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-5-phenylpyrazine-2-carboxylic acid?
3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-5-phenylpyrazine-2-carboxylic acid has a molecular weight of 350.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-5-phenylpyrazine-2-carboxylic acid is sourced from PubChem (CID 69103454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).