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

C24H32N2O5 — CID 66815923

IUPACmethyl 6-[3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2cccc(OCCCCCCNC(=O)OC(C)(C)C)c2)n1
InChIInChI=1S/C24H32N2O5/c1-24(2,3)31-23(28)25-15-7-5-6-8-16-30-19-12-9-11-18(17-19)20-13-10-14-21(26-20)22(27)29-4/h9-14,17H,5-8,15-16H2,1-4H3,(H,25,28)
InChIKeyFZZJWOWKMDXKBU-UHFFFAOYSA-N
MW428.53 g/mol
LogP5.00
Rot. Bonds10

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

methyl 6-[3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]pyridine-2-carboxylate (PubChem CID 66815923) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is methyl 6-[3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]pyridine-2-carboxylate
PubChem CID66815923
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC Namemethyl 6-[3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2cccc(OCCCCCCNC(=O)OC(C)(C)C)c2)n1
InChIInChI=1S/C24H32N2O5/c1-24(2,3)31-23(28)25-15-7-5-6-8-16-30-19-12-9-11-18(17-19)20-13-10-14-21(26-20)22(27)29-4/h9-14,17H,5-8,15-16H2,1-4H3,(H,25,28)
InChIKeyFZZJWOWKMDXKBU-UHFFFAOYSA-N
XLogP5.00
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 6-[3-[6-(oxan-2-yloxy)hexoxy]phenyl]pyridine-2-carboxylate
CID 66815652
tert-butyl N-[3-(3-bromophenoxy)propyl]carbamate
CID 68922177
methyl 5-amino-6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate
CID 135136562
methyl 2-hydroxy-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate
CID 3316729
tert-butyl N-[2-(3-tert-butylphenoxy)ethyl]carbamate
CID 113100474
tert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate
CID 156819756
tert-butyl N-[5-[(2-chloro-1,3-benzothiazol-6-yl)oxy]pentyl]carbamate
CID 171844114
tert-butyl N-[5-[(6-bromo-3-pyridinyl)oxy]pentyl]carbamate
CID 165369012
tert-butyl N-[3-[3-(4-formyl-3-nitrophenyl)phenoxy]propyl]carbamate
CID 166453871
methyl 3-[2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1H-pyrazol-2-ium-4-yl]benzoate
CID 163738674
tert-butyl N-[2-[[6-(2,1,3-benzoxadiazol-5-yl)pyridine-2-carbonyl]amino]ethyl]carbamate
CID 135142500
diethyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2,6-dicarboxylate
CID 67145385

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]pyridine-2-carboxylate (CID 66815923) is methyl 6-[3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]pyridine-2-carboxylate is COC(=O)c1cccc(-c2cccc(OCCCCCCNC(=O)OC(C)(C)C)c2)n1.
What is the InChIKey of methyl 6-[3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]pyridine-2-carboxylate?
The InChIKey is FZZJWOWKMDXKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5/c1-24(2,3)31-23(28)25-15-7-5-6-8-16-30-19-12-9-11-18(17-19)20-13-10-14-21(26-20)22(27)29-4/h9-14,17H,5-8,15-16H2,1-4H3,(H,25,28).
What are the key properties of methyl 6-[3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]pyridine-2-carboxylate?
methyl 6-[3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]pyridine-2-carboxylate has a molecular weight of 428.53 g/mol, XLogP of 5.00, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 66815923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).