6-methyl-3-(prop-2-enoxycarbonylamino)pyridine-2-carboxylic acid

C11H12N2O4 — CID 68819422

IUPAC6-methyl-3-(prop-2-enoxycarbonylamino)pyridine-2-carboxylic acid
SMILESC=CCOC(=O)Nc1ccc(C)nc1C(=O)O
InChIInChI=1S/C11H12N2O4/c1-3-6-17-11(16)13-8-5-4-7(2)12-9(8)10(14)15/h3-5H,1,6H2,2H3,(H,13,16)(H,14,15)
InChIKeyWZIRVLOJZXVCQD-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.82
Rot. Bonds4

About 6-methyl-3-(prop-2-enoxycarbonylamino)pyridine-2-carboxylic acid

6-methyl-3-(prop-2-enoxycarbonylamino)pyridine-2-carboxylic acid (PubChem CID 68819422) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 6-methyl-3-(prop-2-enoxycarbonylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methyl-3-(prop-2-enoxycarbonylamino)pyridine-2-carboxylic acid
PubChem CID68819422
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name6-methyl-3-(prop-2-enoxycarbonylamino)pyridine-2-carboxylic acid
SMILESC=CCOC(=O)Nc1ccc(C)nc1C(=O)O
InChIInChI=1S/C11H12N2O4/c1-3-6-17-11(16)13-8-5-4-7(2)12-9(8)10(14)15/h3-5H,1,6H2,2H3,(H,13,16)(H,14,15)
InChIKeyWZIRVLOJZXVCQD-UHFFFAOYSA-N
XLogP1.82
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(prop-2-enoxycarbonylamino)pyridine-2-carboxylic acid?
The IUPAC name of 6-methyl-3-(prop-2-enoxycarbonylamino)pyridine-2-carboxylic acid (CID 68819422) is 6-methyl-3-(prop-2-enoxycarbonylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-methyl-3-(prop-2-enoxycarbonylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-methyl-3-(prop-2-enoxycarbonylamino)pyridine-2-carboxylic acid is C=CCOC(=O)Nc1ccc(C)nc1C(=O)O.
What is the InChIKey of 6-methyl-3-(prop-2-enoxycarbonylamino)pyridine-2-carboxylic acid?
The InChIKey is WZIRVLOJZXVCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-3-6-17-11(16)13-8-5-4-7(2)12-9(8)10(14)15/h3-5H,1,6H2,2H3,(H,13,16)(H,14,15).
What are the key properties of 6-methyl-3-(prop-2-enoxycarbonylamino)pyridine-2-carboxylic acid?
6-methyl-3-(prop-2-enoxycarbonylamino)pyridine-2-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(prop-2-enoxycarbonylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 68819422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).