[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl acetate

C14H20N2O4 — CID 69241385

IUPAC[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl acetate
SMILESCC(=O)OCc1cccc(N(C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H20N2O4/c1-10(17)19-9-11-7-6-8-12(15-11)16(5)13(18)20-14(2,3)4/h6-8H,9H2,1-5H3
InChIKeyDUTHLFVMCNJYLQ-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.52
Rot. Bonds3

About [6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl acetate

[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl acetate (PubChem CID 69241385) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is [6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl acetate.

Molecular Properties

Compound Name[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl acetate
PubChem CID69241385
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl acetate
SMILESCC(=O)OCc1cccc(N(C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H20N2O4/c1-10(17)19-9-11-7-6-8-12(15-11)16(5)13(18)20-14(2,3)4/h6-8H,9H2,1-5H3
InChIKeyDUTHLFVMCNJYLQ-UHFFFAOYSA-N
XLogP2.52
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl acetate?
The IUPAC name of [6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl acetate (CID 69241385) is [6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl acetate.
What is the SMILES notation for [6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl acetate?
The canonical SMILES for [6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl acetate is CC(=O)OCc1cccc(N(C)C(=O)OC(C)(C)C)n1.
What is the InChIKey of [6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl acetate?
The InChIKey is DUTHLFVMCNJYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(17)19-9-11-7-6-8-12(15-11)16(5)13(18)20-14(2,3)4/h6-8H,9H2,1-5H3.
What are the key properties of [6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl acetate?
[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl acetate has a molecular weight of 280.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl acetate is sourced from PubChem (CID 69241385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).