methyl 5-(ethoxycarbonylamino)pyridine-2-carboxylate

C10H12N2O4 — CID 12640224

IUPACmethyl 5-(ethoxycarbonylamino)pyridine-2-carboxylate
SMILESCCOC(=O)Nc1ccc(C(=O)OC)nc1
InChIInChI=1S/C10H12N2O4/c1-3-16-10(14)12-7-4-5-8(11-6-7)9(13)15-2/h4-6H,3H2,1-2H3,(H,12,14)
InChIKeyPRNIVIINRCNYPC-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.44
Rot. Bonds3

About methyl 5-(ethoxycarbonylamino)pyridine-2-carboxylate

methyl 5-(ethoxycarbonylamino)pyridine-2-carboxylate (PubChem CID 12640224) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is methyl 5-(ethoxycarbonylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(ethoxycarbonylamino)pyridine-2-carboxylate
PubChem CID12640224
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Namemethyl 5-(ethoxycarbonylamino)pyridine-2-carboxylate
SMILESCCOC(=O)Nc1ccc(C(=O)OC)nc1
InChIInChI=1S/C10H12N2O4/c1-3-16-10(14)12-7-4-5-8(11-6-7)9(13)15-2/h4-6H,3H2,1-2H3,(H,12,14)
InChIKeyPRNIVIINRCNYPC-UHFFFAOYSA-N
XLogP1.44
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(ethoxycarbonylamino)pyridine-2-carboxylate?
The IUPAC name of methyl 5-(ethoxycarbonylamino)pyridine-2-carboxylate (CID 12640224) is methyl 5-(ethoxycarbonylamino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(ethoxycarbonylamino)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(ethoxycarbonylamino)pyridine-2-carboxylate is CCOC(=O)Nc1ccc(C(=O)OC)nc1.
What is the InChIKey of methyl 5-(ethoxycarbonylamino)pyridine-2-carboxylate?
The InChIKey is PRNIVIINRCNYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-3-16-10(14)12-7-4-5-8(11-6-7)9(13)15-2/h4-6H,3H2,1-2H3,(H,12,14).
What are the key properties of methyl 5-(ethoxycarbonylamino)pyridine-2-carboxylate?
methyl 5-(ethoxycarbonylamino)pyridine-2-carboxylate has a molecular weight of 224.22 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(ethoxycarbonylamino)pyridine-2-carboxylate is sourced from PubChem (CID 12640224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).