tert-butyl N-[4-[(2,3-diamino-4-pyridinyl)oxy]-2-methylphenyl]carbamate

C17H22N4O3 — CID 155586465

IUPACtert-butyl N-[4-[(2,3-diamino-4-pyridinyl)oxy]-2-methylphenyl]carbamate
SMILESCc1cc(Oc2ccnc(N)c2N)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H22N4O3/c1-10-9-11(23-13-7-8-20-15(19)14(13)18)5-6-12(10)21-16(22)24-17(2,3)4/h5-9H,18H2,1-4H3,(H2,19,20)(H,21,22)
InChIKeyHUPFHZLJBYTXCF-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.69
Rot. Bonds3

About tert-butyl N-[4-[(2,3-diamino-4-pyridinyl)oxy]-2-methylphenyl]carbamate

tert-butyl N-[4-[(2,3-diamino-4-pyridinyl)oxy]-2-methylphenyl]carbamate (PubChem CID 155586465) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is tert-butyl N-[4-[(2,3-diamino-4-pyridinyl)oxy]-2-methylphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(2,3-diamino-4-pyridinyl)oxy]-2-methylphenyl]carbamate
PubChem CID155586465
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Nametert-butyl N-[4-[(2,3-diamino-4-pyridinyl)oxy]-2-methylphenyl]carbamate
SMILESCc1cc(Oc2ccnc(N)c2N)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H22N4O3/c1-10-9-11(23-13-7-8-20-15(19)14(13)18)5-6-12(10)21-16(22)24-17(2,3)4/h5-9H,18H2,1-4H3,(H2,19,20)(H,21,22)
InChIKeyHUPFHZLJBYTXCF-UHFFFAOYSA-N
XLogP3.69
TPSA112.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]-2-(trifluoromethyl)phenyl]carbamate
CID 155586353
tert-butyl N-(4-butoxy-2-methylphenyl)carbamate
CID 140675962
ethyl 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetate
CID 15429168
[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] methanesulfonate
CID 25147172
tert-butyl N-(5-amino-2-methylphenyl)carbamate
CID 10799065
tert-butyl N-(4-iodo-2-methylphenyl)carbamate
CID 23074904
tert-butyl N-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]-2,3-difluorophenyl]carbamate
CID 155586563
tert-butyl N-[4-[[2-(3,5-dimethylanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate
CID 140750480
tert-butyl 4-[3-methyl-4-(methylamino)phenoxy]pyridine-2-carboxylate
CID 25149800
tert-butyl N-(2-amino-3-methylphenyl)carbamate
CID 76849218
tert-butyl 8-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylphenoxy]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate
CID 155586217
tert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate
CID 82342800

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(2,3-diamino-4-pyridinyl)oxy]-2-methylphenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(2,3-diamino-4-pyridinyl)oxy]-2-methylphenyl]carbamate (CID 155586465) is tert-butyl N-[4-[(2,3-diamino-4-pyridinyl)oxy]-2-methylphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(2,3-diamino-4-pyridinyl)oxy]-2-methylphenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(2,3-diamino-4-pyridinyl)oxy]-2-methylphenyl]carbamate is Cc1cc(Oc2ccnc(N)c2N)ccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[(2,3-diamino-4-pyridinyl)oxy]-2-methylphenyl]carbamate?
The InChIKey is HUPFHZLJBYTXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-10-9-11(23-13-7-8-20-15(19)14(13)18)5-6-12(10)21-16(22)24-17(2,3)4/h5-9H,18H2,1-4H3,(H2,19,20)(H,21,22).
What are the key properties of tert-butyl N-[4-[(2,3-diamino-4-pyridinyl)oxy]-2-methylphenyl]carbamate?
tert-butyl N-[4-[(2,3-diamino-4-pyridinyl)oxy]-2-methylphenyl]carbamate has a molecular weight of 330.39 g/mol, XLogP of 3.69, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(2,3-diamino-4-pyridinyl)oxy]-2-methylphenyl]carbamate is sourced from PubChem (CID 155586465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).