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

C15H21FN2O4 — CID 176943347

IUPACmethyl 6-(2-fluoropropan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(C)(C)F)nc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H21FN2O4/c1-14(2,3)22-13(20)18-11-9(12(19)21-6)7-8-10(17-11)15(4,5)16/h7-8H,1-6H3,(H,17,18,20)
InChIKeyNWMCXMXELVELEU-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.42
Rot. Bonds3

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

methyl 6-(2-fluoropropan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate (PubChem CID 176943347) has the molecular formula C15H21FN2O4 and a molecular weight of 312.34 g/mol. Its IUPAC name is methyl 6-(2-fluoropropan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-fluoropropan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
PubChem CID176943347
Molecular FormulaC15H21FN2O4
Molecular Weight312.34 g/mol
Exact Mass312.15
IUPAC Namemethyl 6-(2-fluoropropan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(C)(C)F)nc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H21FN2O4/c1-14(2,3)22-13(20)18-11-9(12(19)21-6)7-8-10(17-11)15(4,5)16/h7-8H,1-6H3,(H,17,18,20)
InChIKeyNWMCXMXELVELEU-UHFFFAOYSA-N
XLogP3.42
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-(2-fluoropropan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 65142670
methyl 2-iodo-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 121396611
methyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 69368154
methyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 46311111
3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 131617499
methyl 2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 103879996
methyl 5-(1-methylcyclopropyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylate
CID 176931380
tert-butyl N-(5-bromo-6-nitro-2-pyridinyl)carbamate
CID 56924569
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalene-1-carboxylate
CID 172528833
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate
CID 118896349
methyl 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 142212585
tert-butyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 166524788

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-fluoropropan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 6-(2-fluoropropan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate (CID 176943347) is methyl 6-(2-fluoropropan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(2-fluoropropan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(2-fluoropropan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate is COC(=O)c1ccc(C(C)(C)F)nc1NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 6-(2-fluoropropan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate?
The InChIKey is NWMCXMXELVELEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O4/c1-14(2,3)22-13(20)18-11-9(12(19)21-6)7-8-10(17-11)15(4,5)16/h7-8H,1-6H3,(H,17,18,20).
What are the key properties of methyl 6-(2-fluoropropan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate?
methyl 6-(2-fluoropropan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate has a molecular weight of 312.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-fluoropropan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate is sourced from PubChem (CID 176943347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).