[5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]methyl acetate

C14H20N2O5 — CID 155114586

IUPAC[5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]methyl acetate
SMILESCOc1cnc(COC(C)=O)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H20N2O5/c1-9(17)20-8-10-6-11(12(19-5)7-15-10)16-13(18)21-14(2,3)4/h6-7H,8H2,1-5H3,(H,15,16,18)
InChIKeyGHMXVCFHXNXMMD-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.50
Rot. Bonds4

About [5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]methyl acetate

[5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]methyl acetate (PubChem CID 155114586) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is [5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]methyl acetate.

Molecular Properties

Compound Name[5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]methyl acetate
PubChem CID155114586
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name[5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]methyl acetate
SMILESCOc1cnc(COC(C)=O)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H20N2O5/c1-9(17)20-8-10-6-11(12(19-5)7-15-10)16-13(18)21-14(2,3)4/h6-7H,8H2,1-5H3,(H,15,16,18)
InChIKeyGHMXVCFHXNXMMD-UHFFFAOYSA-N
XLogP2.50
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate
CID 152536591
tert-butyl N-[5-methoxy-2-(4-methylsulfonylbut-1-ynyl)-4-pyridinyl]carbamate
CID 155166502
tert-butyl N-[5-(3-aminopropyl)-2-methoxyphenyl]carbamate
CID 117450332
tert-butyl N-[5-[(E)-3-aminoprop-1-enyl]-2-methoxyphenyl]carbamate
CID 117446430
tert-butyl N-[5-(hydroxymethyl)-2-methoxyphenyl]carbamate
CID 117236640
tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate
CID 174674918
tert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate
CID 86720230
tert-butyl N-[4-methoxy-6-(methylcarbamoyl)-3-pyridinyl]carbamate
CID 178125649
tert-butyl N-[5-(2-aminoethyl)-2-methoxyphenyl]carbamate
CID 117420116
2,4-dimethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 45356710
tert-butyl N-[5-acetyl-2-(hydroxymethyl)-3-pyridinyl]carbamate
CID 129224331
tert-butyl N-[4-(chloromethyl)-2-methoxyphenyl]carbamate
CID 117236540

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]methyl acetate?
The IUPAC name of [5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]methyl acetate (CID 155114586) is [5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]methyl acetate.
What is the SMILES notation for [5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]methyl acetate?
The canonical SMILES for [5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]methyl acetate is COc1cnc(COC(C)=O)cc1NC(=O)OC(C)(C)C.
What is the InChIKey of [5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]methyl acetate?
The InChIKey is GHMXVCFHXNXMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-9(17)20-8-10-6-11(12(19-5)7-15-10)16-13(18)21-14(2,3)4/h6-7H,8H2,1-5H3,(H,15,16,18).
What are the key properties of [5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]methyl acetate?
[5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]methyl acetate has a molecular weight of 296.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]methyl acetate is sourced from PubChem (CID 155114586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).