methyl 6-(cyclopropylcarbamoyl)pyridine-3-carboxylate

C11H12N2O3 — CID 32676578

IUPACmethyl 6-(cyclopropylcarbamoyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NC2CC2)nc1
InChIInChI=1S/C11H12N2O3/c1-16-11(15)7-2-5-9(12-6-7)10(14)13-8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H,13,14)
InChIKeyHXZMFXFZPLGPAS-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.76
Rot. Bonds3

About methyl 6-(cyclopropylcarbamoyl)pyridine-3-carboxylate

methyl 6-(cyclopropylcarbamoyl)pyridine-3-carboxylate (PubChem CID 32676578) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl 6-(cyclopropylcarbamoyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(cyclopropylcarbamoyl)pyridine-3-carboxylate
PubChem CID32676578
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namemethyl 6-(cyclopropylcarbamoyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NC2CC2)nc1
InChIInChI=1S/C11H12N2O3/c1-16-11(15)7-2-5-9(12-6-7)10(14)13-8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H,13,14)
InChIKeyHXZMFXFZPLGPAS-UHFFFAOYSA-N
XLogP0.76
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(cyclopropylcarbamoyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(cyclopropylcarbamoyl)pyridine-3-carboxylate (CID 32676578) is methyl 6-(cyclopropylcarbamoyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(cyclopropylcarbamoyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(cyclopropylcarbamoyl)pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)NC2CC2)nc1.
What is the InChIKey of methyl 6-(cyclopropylcarbamoyl)pyridine-3-carboxylate?
The InChIKey is HXZMFXFZPLGPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-16-11(15)7-2-5-9(12-6-7)10(14)13-8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H,13,14).
What are the key properties of methyl 6-(cyclopropylcarbamoyl)pyridine-3-carboxylate?
methyl 6-(cyclopropylcarbamoyl)pyridine-3-carboxylate has a molecular weight of 220.23 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(cyclopropylcarbamoyl)pyridine-3-carboxylate is sourced from PubChem (CID 32676578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).