tert-butyl N-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-3-pyridinyl]methyl]carbamate

C25H26FN3O4 — CID 142680286

IUPACtert-butyl N-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-3-pyridinyl]methyl]carbamate
SMILESCc1ccc(C(=O)c2ccc(O)c(-c3ccc(CNC(=O)OC(C)(C)C)c(N)n3)c2)c(F)c1
InChIInChI=1S/C25H26FN3O4/c1-14-5-8-17(19(26)11-14)22(31)15-7-10-21(30)18(12-15)20-9-6-16(23(27)29-20)13-28-24(32)33-25(2,3)4/h5-12,30H,13H2,1-4H3,(H2,27,29)(H,28,32)
InChIKeyZDTCKBHQSWVKMP-UHFFFAOYSA-N
MW451.50 g/mol
LogP4.74
Rot. Bonds5

About tert-butyl N-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-3-pyridinyl]methyl]carbamate

tert-butyl N-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-3-pyridinyl]methyl]carbamate (PubChem CID 142680286) has the molecular formula C25H26FN3O4 and a molecular weight of 451.50 g/mol. Its IUPAC name is tert-butyl N-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-3-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-3-pyridinyl]methyl]carbamate
PubChem CID142680286
Molecular FormulaC25H26FN3O4
Molecular Weight451.50 g/mol
Exact Mass451.19
IUPAC Nametert-butyl N-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-3-pyridinyl]methyl]carbamate
SMILESCc1ccc(C(=O)c2ccc(O)c(-c3ccc(CNC(=O)OC(C)(C)C)c(N)n3)c2)c(F)c1
InChIInChI=1S/C25H26FN3O4/c1-14-5-8-17(19(26)11-14)22(31)15-7-10-21(30)18(12-15)20-9-6-16(23(27)29-20)13-28-24(32)33-25(2,3)4/h5-12,30H,13H2,1-4H3,(H2,27,29)(H,28,32)
InChIKeyZDTCKBHQSWVKMP-UHFFFAOYSA-N
XLogP4.74
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-3-pyridinyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2-fluoro-4-methylphenyl)methyl]carbamate
CID 158865202
tert-butyl N-[2-[[2-amino-6-[5-[4-chloro-2-(fluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methylamino]-2-oxoethyl]carbamate
CID 142681716
[3-[2-amino-6-[2-[2-hydroxyethyl(methyl)amino]ethoxy]pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
CID 135545808
[3-[2-amino-6-[2-[4-(1-hydroxyethyl)piperazin-1-yl]ethoxy]pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
CID 136649172
tert-butyl N-[(4-fluoro-2-methylphenyl)methyl]carbamate
CID 59483479
ethyl 2-amino-6-[5-(1,3-benzodioxole-5-carbonyl)-2-hydroxyphenyl]pyridine-3-carboxylate
CID 142680262
[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-[4-(dimethylamino)-2-fluorophenyl]methanone
CID 135517331
N-[[2-amino-6-[5-(4-chloro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-cyanoacetamide
CID 135491763
(2-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291200
tert-butyl N-[(4-hydroxy-2-methylphenyl)methyl]carbamate
CID 136664415
2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide
CID 135487392
(2-fluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 107129912

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-3-pyridinyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-3-pyridinyl]methyl]carbamate (CID 142680286) is tert-butyl N-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-3-pyridinyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-3-pyridinyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-3-pyridinyl]methyl]carbamate is Cc1ccc(C(=O)c2ccc(O)c(-c3ccc(CNC(=O)OC(C)(C)C)c(N)n3)c2)c(F)c1.
What is the InChIKey of tert-butyl N-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-3-pyridinyl]methyl]carbamate?
The InChIKey is ZDTCKBHQSWVKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O4/c1-14-5-8-17(19(26)11-14)22(31)15-7-10-21(30)18(12-15)20-9-6-16(23(27)29-20)13-28-24(32)33-25(2,3)4/h5-12,30H,13H2,1-4H3,(H2,27,29)(H,28,32).
What are the key properties of tert-butyl N-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-3-pyridinyl]methyl]carbamate?
tert-butyl N-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-3-pyridinyl]methyl]carbamate has a molecular weight of 451.50 g/mol, XLogP of 4.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-3-pyridinyl]methyl]carbamate is sourced from PubChem (CID 142680286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).