3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]pyrazine-2-carboxylic acid

C21H20N4O3 — CID 69102983

IUPAC3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]pyrazine-2-carboxylic acid
SMILESCC(C)n1cc(-c2nc(C(=O)O)c(N)nc2/C=C/c2ccccc2)ccc1=O
InChIInChI=1S/C21H20N4O3/c1-13(2)25-12-15(9-11-17(25)26)18-16(10-8-14-6-4-3-5-7-14)23-20(22)19(24-18)21(27)28/h3-13H,1-2H3,(H2,22,23)(H,27,28)/b10-8+
InChIKeyUICCKCWWUOGBME-CSKARUKUSA-N
MW376.42 g/mol
LogP3.34
Rot. Bonds5

About 3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]pyrazine-2-carboxylic acid

3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]pyrazine-2-carboxylic acid (PubChem CID 69102983) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]pyrazine-2-carboxylic acid
PubChem CID69102983
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]pyrazine-2-carboxylic acid
SMILESCC(C)n1cc(-c2nc(C(=O)O)c(N)nc2/C=C/c2ccccc2)ccc1=O
InChIInChI=1S/C21H20N4O3/c1-13(2)25-12-15(9-11-17(25)26)18-16(10-8-14-6-4-3-5-7-14)23-20(22)19(24-18)21(27)28/h3-13H,1-2H3,(H2,22,23)(H,27,28)/b10-8+
InChIKeyUICCKCWWUOGBME-CSKARUKUSA-N
XLogP3.34
TPSA111.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 44216359
CID 44216359
CID 44216363
CID 44216363
CID 44216364
CID 44216364
CID 69102961
CID 69102961
CID 69103219
CID 69103219
CID 69103314
CID 69103314
CID 69103327
CID 69103327
CID 69103621
CID 69103621
CID 69104126
CID 69104126
CID 69104172
CID 69104172
CID 69104360
CID 69104360
CID 69104366
CID 69104366

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]pyrazine-2-carboxylic acid (CID 69102983) is 3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]pyrazine-2-carboxylic acid is CC(C)n1cc(-c2nc(C(=O)O)c(N)nc2/C=C/c2ccccc2)ccc1=O.
What is the InChIKey of 3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]pyrazine-2-carboxylic acid?
The InChIKey is UICCKCWWUOGBME-CSKARUKUSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-13(2)25-12-15(9-11-17(25)26)18-16(10-8-14-6-4-3-5-7-14)23-20(22)19(24-18)21(27)28/h3-13H,1-2H3,(H2,22,23)(H,27,28)/b10-8+.
What are the key properties of 3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]pyrazine-2-carboxylic acid?
3-amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]pyrazine-2-carboxylic acid has a molecular weight of 376.42 g/mol, XLogP of 3.34, 5 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-[(E)-2-phenylethenyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 69102983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).