methyl 6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate

C13H18N2O5 — CID 178148126

IUPACmethyl 6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(OC)c(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C13H18N2O5/c1-13(2,3)20-12(17)15-9-6-8(11(16)19-5)7-14-10(9)18-4/h6-7H,1-5H3,(H,15,17)
InChIKeyHCTXCZQJFPVJLK-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.22
Rot. Bonds3

About methyl 6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate

methyl 6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate (PubChem CID 178148126) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
PubChem CID178148126
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Namemethyl 6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(OC)c(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C13H18N2O5/c1-13(2,3)20-12(17)15-9-6-8(11(16)19-5)7-14-10(9)18-4/h6-7H,1-5H3,(H,15,17)
InChIKeyHCTXCZQJFPVJLK-UHFFFAOYSA-N
XLogP2.22
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 142743369
tert-butyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate
CID 155729088
methyl 6-(2-chloro-6-fluorophenoxy)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 178141759
methyl 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 142212585
methyl 3,4-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 177331943
ethyl 6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 58563500
tert-butyl N-[5-acetyl-2-(hydroxymethyl)-3-pyridinyl]carbamate
CID 129224331
tert-butyl 5-chloro-6-methoxypyridine-3-carboxylate
CID 133063146
tert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate
CID 73010774
2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid
CID 170171990
tert-butyl N-[2-methoxy-5-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]carbamate
CID 146200706
methyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate
CID 146241727

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate (CID 178148126) is methyl 6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate is COC(=O)c1cnc(OC)c(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of methyl 6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate?
The InChIKey is HCTXCZQJFPVJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-13(2,3)20-12(17)15-9-6-8(11(16)19-5)7-14-10(9)18-4/h6-7H,1-5H3,(H,15,17).
What are the key properties of methyl 6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate?
methyl 6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate is sourced from PubChem (CID 178148126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).