3-[(1-propylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid

C13H14N4O3 — CID 63262330

IUPAC3-[(1-propylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid
SMILESCCCn1cccc1C(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C13H14N4O3/c1-2-7-17-8-3-4-9(17)12(18)16-11-10(13(19)20)14-5-6-15-11/h3-6,8H,2,7H2,1H3,(H,19,20)(H,15,16,18)
InChIKeyKXUAJARAKRTUEF-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.64
Rot. Bonds5

About 3-[(1-propylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid

3-[(1-propylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid (PubChem CID 63262330) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-[(1-propylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(1-propylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid
PubChem CID63262330
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name3-[(1-propylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid
SMILESCCCn1cccc1C(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C13H14N4O3/c1-2-7-17-8-3-4-9(17)12(18)16-11-10(13(19)20)14-5-6-15-11/h3-6,8H,2,7H2,1H3,(H,19,20)(H,15,16,18)
InChIKeyKXUAJARAKRTUEF-UHFFFAOYSA-N
XLogP1.64
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-propylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(1-propylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid (CID 63262330) is 3-[(1-propylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(1-propylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(1-propylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid is CCCn1cccc1C(=O)Nc1nccnc1C(=O)O.
What is the InChIKey of 3-[(1-propylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is KXUAJARAKRTUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-2-7-17-8-3-4-9(17)12(18)16-11-10(13(19)20)14-5-6-15-11/h3-6,8H,2,7H2,1H3,(H,19,20)(H,15,16,18).
What are the key properties of 3-[(1-propylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid?
3-[(1-propylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 63262330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).