tert-butyl N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]carbamate

C19H22F2N2O5 — CID 155746482

IUPACtert-butyl N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]carbamate
SMILESCOc1cc(OC)c(F)c(COc2ccc(NC(=O)OC(C)(C)C)nc2)c1F
InChIInChI=1S/C19H22F2N2O5/c1-19(2,3)28-18(24)23-15-7-6-11(9-22-15)27-10-12-16(20)13(25-4)8-14(26-5)17(12)21/h6-9H,10H2,1-5H3,(H,22,23,24)
InChIKeyYDLYBQXTHZRUEJ-UHFFFAOYSA-N
MW396.39 g/mol
LogP4.30
Rot. Bonds6

About tert-butyl N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]carbamate

tert-butyl N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]carbamate (PubChem CID 155746482) has the molecular formula C19H22F2N2O5 and a molecular weight of 396.39 g/mol. Its IUPAC name is tert-butyl N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]carbamate
PubChem CID155746482
Molecular FormulaC19H22F2N2O5
Molecular Weight396.39 g/mol
Exact Mass396.15
IUPAC Nametert-butyl N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]carbamate
SMILESCOc1cc(OC)c(F)c(COc2ccc(NC(=O)OC(C)(C)C)nc2)c1F
InChIInChI=1S/C19H22F2N2O5/c1-19(2,3)28-18(24)23-15-7-6-11(9-22-15)27-10-12-16(20)13(25-4)8-14(26-5)17(12)21/h6-9H,10H2,1-5H3,(H,22,23,24)
InChIKeyYDLYBQXTHZRUEJ-UHFFFAOYSA-N
XLogP4.30
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate
CID 70798094
5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
CID 137407913
tert-butyl N-[5-(2-aminoethyl)-2-pyridinyl]carbamate
CID 58882151
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium
CID 42553117
tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930
tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate
CID 65143046
tert-butyl N-[5-(1-chloroethyl)-2-pyridinyl]carbamate
CID 178071288
methyl N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]carbamate
CID 113027448
tert-butyl N-[5-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-pyridinyl]carbamate
CID 107243135
tert-butyl N-(4-fluoro-5-formyl-2-pyridinyl)carbamate
CID 142536295
tert-butyl N-(5-prop-1-ynyl-2-pyridinyl)carbamate
CID 174419990

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]carbamate (CID 155746482) is tert-butyl N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]carbamate is COc1cc(OC)c(F)c(COc2ccc(NC(=O)OC(C)(C)C)nc2)c1F.
What is the InChIKey of tert-butyl N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]carbamate?
The InChIKey is YDLYBQXTHZRUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O5/c1-19(2,3)28-18(24)23-15-7-6-11(9-22-15)27-10-12-16(20)13(25-4)8-14(26-5)17(12)21/h6-9H,10H2,1-5H3,(H,22,23,24).
What are the key properties of tert-butyl N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]carbamate?
tert-butyl N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]carbamate has a molecular weight of 396.39 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]carbamate is sourced from PubChem (CID 155746482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).