methyl 2,6-diethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate

C16H24N2O4 — CID 54107351

IUPACmethyl 2,6-diethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
SMILESCCc1cc(NC(=O)OC(C)(C)C)c(C(=O)OC)c(CC)n1
InChIInChI=1S/C16H24N2O4/c1-7-10-9-12(18-15(20)22-16(3,4)5)13(14(19)21-6)11(8-2)17-10/h9H,7-8H2,1-6H3,(H,17,18,20)
InChIKeyNEROCFLLXYFUMK-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.34
Rot. Bonds4

About methyl 2,6-diethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate

methyl 2,6-diethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate (PubChem CID 54107351) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is methyl 2,6-diethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,6-diethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
PubChem CID54107351
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Namemethyl 2,6-diethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
SMILESCCc1cc(NC(=O)OC(C)(C)C)c(C(=O)OC)c(CC)n1
InChIInChI=1S/C16H24N2O4/c1-7-10-9-12(18-15(20)22-16(3,4)5)13(14(19)21-6)11(8-2)17-10/h9H,7-8H2,1-6H3,(H,17,18,20)
InChIKeyNEROCFLLXYFUMK-UHFFFAOYSA-N
XLogP3.34
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 142743369
methyl 6-amino-2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 67356334
tert-butyl N-(5-ethyl-6-methoxypyrazin-2-yl)carbamate
CID 145226856
tert-butyl N-(2-ethyl-4-hydroxyphenyl)carbamate
CID 143575571
methyl 6-bromo-5-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 168977230
ethyl 6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 58563500
tert-butyl N-[4-[(6-ethyl-2-pyridinyl)-methoxymethyl]phenyl]carbamate
CID 167071661
tert-butyl N-[2-methoxy-4-(2-methylbutylamino)phenyl]carbamate
CID 103776035
tert-butyl N-[5-acetyl-2-(hydroxymethyl)-3-pyridinyl]carbamate
CID 129224331
methyl 6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 178148126
methyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate
CID 146241727
tert-butyl N-[4-[(6-ethyl-2-pyridinyl)-hydroxymethyl]phenyl]carbamate
CID 163299765

Frequently Asked Questions

What is the IUPAC name of methyl 2,6-diethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 2,6-diethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate (CID 54107351) is methyl 2,6-diethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2,6-diethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2,6-diethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate is CCc1cc(NC(=O)OC(C)(C)C)c(C(=O)OC)c(CC)n1.
What is the InChIKey of methyl 2,6-diethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate?
The InChIKey is NEROCFLLXYFUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-7-10-9-12(18-15(20)22-16(3,4)5)13(14(19)21-6)11(8-2)17-10/h9H,7-8H2,1-6H3,(H,17,18,20).
What are the key properties of methyl 2,6-diethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate?
methyl 2,6-diethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-diethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate is sourced from PubChem (CID 54107351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).