3-[(4-propan-2-ylbenzoyl)amino]pyrazine-2-carboxylic acid

C15H15N3O3 — CID 63262062

IUPAC3-[(4-propan-2-ylbenzoyl)amino]pyrazine-2-carboxylic acid
SMILESCC(C)c1ccc(C(=O)Nc2nccnc2C(=O)O)cc1
InChIInChI=1S/C15H15N3O3/c1-9(2)10-3-5-11(6-4-10)14(19)18-13-12(15(20)21)16-7-8-17-13/h3-9H,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyKFYFEZXNKLRUPI-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.55
Rot. Bonds4

About 3-[(4-propan-2-ylbenzoyl)amino]pyrazine-2-carboxylic acid

3-[(4-propan-2-ylbenzoyl)amino]pyrazine-2-carboxylic acid (PubChem CID 63262062) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-[(4-propan-2-ylbenzoyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-propan-2-ylbenzoyl)amino]pyrazine-2-carboxylic acid
PubChem CID63262062
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name3-[(4-propan-2-ylbenzoyl)amino]pyrazine-2-carboxylic acid
SMILESCC(C)c1ccc(C(=O)Nc2nccnc2C(=O)O)cc1
InChIInChI=1S/C15H15N3O3/c1-9(2)10-3-5-11(6-4-10)14(19)18-13-12(15(20)21)16-7-8-17-13/h3-9H,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyKFYFEZXNKLRUPI-UHFFFAOYSA-N
XLogP2.55
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-ylbenzoyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(4-propan-2-ylbenzoyl)amino]pyrazine-2-carboxylic acid (CID 63262062) is 3-[(4-propan-2-ylbenzoyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-propan-2-ylbenzoyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(4-propan-2-ylbenzoyl)amino]pyrazine-2-carboxylic acid is CC(C)c1ccc(C(=O)Nc2nccnc2C(=O)O)cc1.
What is the InChIKey of 3-[(4-propan-2-ylbenzoyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is KFYFEZXNKLRUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9(2)10-3-5-11(6-4-10)14(19)18-13-12(15(20)21)16-7-8-17-13/h3-9H,1-2H3,(H,20,21)(H,17,18,19).
What are the key properties of 3-[(4-propan-2-ylbenzoyl)amino]pyrazine-2-carboxylic acid?
3-[(4-propan-2-ylbenzoyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-ylbenzoyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 63262062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).