methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate

C13H18N2O4 — CID 19779302

IUPACmethyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C13H18N2O4/c1-13(2,3)19-12(17)15(4)9-6-7-10(14-8-9)11(16)18-5/h6-8H,1-5H3
InChIKeyFDZPSFQDSBMEKR-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.24
Rot. Bonds2

About methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate

methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate (PubChem CID 19779302) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate
PubChem CID19779302
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C13H18N2O4/c1-13(2,3)19-12(17)15(4)9-6-7-10(14-8-9)11(16)18-5/h6-8H,1-5H3
InChIKeyFDZPSFQDSBMEKR-UHFFFAOYSA-N
XLogP2.24
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate (CID 19779302) is methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate is COC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)cn1.
What is the InChIKey of methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate?
The InChIKey is FDZPSFQDSBMEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-13(2,3)19-12(17)15(4)9-6-7-10(14-8-9)11(16)18-5/h6-8H,1-5H3.
What are the key properties of methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate?
methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 19779302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).