tert-butyl N-[[4-(3-methoxy-2-pyridinyl)phenyl]methyl]carbamate

C18H22N2O3 — CID 171625964

IUPACtert-butyl N-[[4-(3-methoxy-2-pyridinyl)phenyl]methyl]carbamate
SMILESCOc1cccnc1-c1ccc(CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C18H22N2O3/c1-18(2,3)23-17(21)20-12-13-7-9-14(10-8-13)16-15(22-4)6-5-11-19-16/h5-11H,12H2,1-4H3,(H,20,21)
InChIKeyBGGZVKQZJZLQHK-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.78
Rot. Bonds4

About tert-butyl N-[[4-(3-methoxy-2-pyridinyl)phenyl]methyl]carbamate

tert-butyl N-[[4-(3-methoxy-2-pyridinyl)phenyl]methyl]carbamate (PubChem CID 171625964) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is tert-butyl N-[[4-(3-methoxy-2-pyridinyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(3-methoxy-2-pyridinyl)phenyl]methyl]carbamate
PubChem CID171625964
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Nametert-butyl N-[[4-(3-methoxy-2-pyridinyl)phenyl]methyl]carbamate
SMILESCOc1cccnc1-c1ccc(CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C18H22N2O3/c1-18(2,3)23-17(21)20-12-13-7-9-14(10-8-13)16-15(22-4)6-5-11-19-16/h5-11H,12H2,1-4H3,(H,20,21)
InChIKeyBGGZVKQZJZLQHK-UHFFFAOYSA-N
XLogP3.78
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate
CID 86071310
tert-butyl N-[[4-[[(2-methylpyridine-3-carbonyl)amino]methyl]phenyl]methyl]carbamate
CID 142274095
4-[[4-(3-methoxy-2-pyridinyl)anilino]methyl]-5-methylfuran-2-carboxylic acid;hydrochloride
CID 69145376
tert-butyl N-[2-(4-pyridin-2-ylphenyl)ethyl]carbamate
CID 21027861
tert-butyl N-[3-[(3-methoxy-2-pyridinyl)amino]propyl]carbamate
CID 114518163
tert-butyl N-[[4-(3-methoxy-4-oxophthalazin-1-yl)phenyl]methyl]carbamate
CID 175824331
tert-butyl N-[[4-(4-chlorophenyl)phenyl]methyl]carbamate
CID 52904827
tert-butyl N-[[4-[(3-hydroxypyridine-2-carbonyl)amino]phenyl]methyl]carbamate
CID 171505071
methyl 2-[4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]phenoxy]acetate
CID 91382246
tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride
CID 174676513
tert-butyl N-[[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]methyl]carbamate
CID 121449320
2-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
CID 77230394

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(3-methoxy-2-pyridinyl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(3-methoxy-2-pyridinyl)phenyl]methyl]carbamate (CID 171625964) is tert-butyl N-[[4-(3-methoxy-2-pyridinyl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(3-methoxy-2-pyridinyl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(3-methoxy-2-pyridinyl)phenyl]methyl]carbamate is COc1cccnc1-c1ccc(CNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[[4-(3-methoxy-2-pyridinyl)phenyl]methyl]carbamate?
The InChIKey is BGGZVKQZJZLQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-18(2,3)23-17(21)20-12-13-7-9-14(10-8-13)16-15(22-4)6-5-11-19-16/h5-11H,12H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[[4-(3-methoxy-2-pyridinyl)phenyl]methyl]carbamate?
tert-butyl N-[[4-(3-methoxy-2-pyridinyl)phenyl]methyl]carbamate has a molecular weight of 314.39 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(3-methoxy-2-pyridinyl)phenyl]methyl]carbamate is sourced from PubChem (CID 171625964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).