tert-butyl 4-[3-methyl-4-(methylamino)phenoxy]pyridine-2-carboxylate

C18H22N2O3 — CID 25149800

IUPACtert-butyl 4-[3-methyl-4-(methylamino)phenoxy]pyridine-2-carboxylate
SMILESCNc1ccc(Oc2ccnc(C(=O)OC(C)(C)C)c2)cc1C
InChIInChI=1S/C18H22N2O3/c1-12-10-13(6-7-15(12)19-5)22-14-8-9-20-16(11-14)17(21)23-18(2,3)4/h6-11,19H,1-5H3
InChIKeyWHJJXCPSHKLWPW-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.18
Rot. Bonds4

About tert-butyl 4-[3-methyl-4-(methylamino)phenoxy]pyridine-2-carboxylate

tert-butyl 4-[3-methyl-4-(methylamino)phenoxy]pyridine-2-carboxylate (PubChem CID 25149800) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is tert-butyl 4-[3-methyl-4-(methylamino)phenoxy]pyridine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-methyl-4-(methylamino)phenoxy]pyridine-2-carboxylate
PubChem CID25149800
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Nametert-butyl 4-[3-methyl-4-(methylamino)phenoxy]pyridine-2-carboxylate
SMILESCNc1ccc(Oc2ccnc(C(=O)OC(C)(C)C)c2)cc1C
InChIInChI=1S/C18H22N2O3/c1-12-10-13(6-7-15(12)19-5)22-14-8-9-20-16(11-14)17(21)23-18(2,3)4/h6-11,19H,1-5H3
InChIKeyWHJJXCPSHKLWPW-UHFFFAOYSA-N
XLogP4.18
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[4-(methylamino)-3-nitrophenoxy]pyridine-2-carboxylate;[4-[4-(methylamino)-3-nitrophenoxy]-2-pyridinyl]methanol
CID 160916912
tert-butyl 4-[4-(methylamino)-3-nitrophenoxy]pyridine-2-carboxylate;methane;[4-[4-(methylamino)-3-nitrophenoxy]-2-pyridinyl]methanol
CID 162257207
carbamoyl 4-[3-amino-4-(methylamino)phenoxy]pyridine-2-carboxylate
CID 90741979
4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
CID 66746840
tert-butyl 4-[2-(4-fluoroanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxylate
CID 21037368
tert-butyl N-[4-[(2,3-diamino-4-pyridinyl)oxy]-2-methylphenyl]carbamate
CID 155586465
4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 162090161
methyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate
CID 23153051
ditert-butyl 4-[3,4-bis[(2-methylpropan-2-yl)oxycarbonyl]phenoxy]benzene-1,2-dicarboxylate
CID 100990281
4-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 56952741
4-[4-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-3-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 58385486
4-[4-(2,3-dimethylpent-1-en-3-yl)phenoxy]-N-methylpyridine-2-carboxamide
CID 123648832

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-methyl-4-(methylamino)phenoxy]pyridine-2-carboxylate?
The IUPAC name of tert-butyl 4-[3-methyl-4-(methylamino)phenoxy]pyridine-2-carboxylate (CID 25149800) is tert-butyl 4-[3-methyl-4-(methylamino)phenoxy]pyridine-2-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-methyl-4-(methylamino)phenoxy]pyridine-2-carboxylate?
The canonical SMILES for tert-butyl 4-[3-methyl-4-(methylamino)phenoxy]pyridine-2-carboxylate is CNc1ccc(Oc2ccnc(C(=O)OC(C)(C)C)c2)cc1C.
What is the InChIKey of tert-butyl 4-[3-methyl-4-(methylamino)phenoxy]pyridine-2-carboxylate?
The InChIKey is WHJJXCPSHKLWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-10-13(6-7-15(12)19-5)22-14-8-9-20-16(11-14)17(21)23-18(2,3)4/h6-11,19H,1-5H3.
What are the key properties of tert-butyl 4-[3-methyl-4-(methylamino)phenoxy]pyridine-2-carboxylate?
tert-butyl 4-[3-methyl-4-(methylamino)phenoxy]pyridine-2-carboxylate has a molecular weight of 314.39 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-methyl-4-(methylamino)phenoxy]pyridine-2-carboxylate is sourced from PubChem (CID 25149800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).