methyl 3-[acetyl(pyridin-2-yl)amino]pyridine-2-carboxylate

C14H13N3O3 — CID 91144843

IUPACmethyl 3-[acetyl(pyridin-2-yl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1N(C(C)=O)c1ccccn1
InChIInChI=1S/C14H13N3O3/c1-10(18)17(12-7-3-4-8-15-12)11-6-5-9-16-13(11)14(19)20-2/h3-9H,1-2H3
InChIKeyOYGSKPXLTASMIE-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.95
Rot. Bonds3

About methyl 3-[acetyl(pyridin-2-yl)amino]pyridine-2-carboxylate

methyl 3-[acetyl(pyridin-2-yl)amino]pyridine-2-carboxylate (PubChem CID 91144843) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is methyl 3-[acetyl(pyridin-2-yl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[acetyl(pyridin-2-yl)amino]pyridine-2-carboxylate
PubChem CID91144843
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Namemethyl 3-[acetyl(pyridin-2-yl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1N(C(C)=O)c1ccccn1
InChIInChI=1S/C14H13N3O3/c1-10(18)17(12-7-3-4-8-15-12)11-6-5-9-16-13(11)14(19)20-2/h3-9H,1-2H3
InChIKeyOYGSKPXLTASMIE-UHFFFAOYSA-N
XLogP1.95
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[acetyl(pyridin-2-yl)amino]pyridine-2-carboxylate?
The IUPAC name of methyl 3-[acetyl(pyridin-2-yl)amino]pyridine-2-carboxylate (CID 91144843) is methyl 3-[acetyl(pyridin-2-yl)amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-[acetyl(pyridin-2-yl)amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-[acetyl(pyridin-2-yl)amino]pyridine-2-carboxylate is COC(=O)c1ncccc1N(C(C)=O)c1ccccn1.
What is the InChIKey of methyl 3-[acetyl(pyridin-2-yl)amino]pyridine-2-carboxylate?
The InChIKey is OYGSKPXLTASMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-10(18)17(12-7-3-4-8-15-12)11-6-5-9-16-13(11)14(19)20-2/h3-9H,1-2H3.
What are the key properties of methyl 3-[acetyl(pyridin-2-yl)amino]pyridine-2-carboxylate?
methyl 3-[acetyl(pyridin-2-yl)amino]pyridine-2-carboxylate has a molecular weight of 271.28 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[acetyl(pyridin-2-yl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 91144843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).