tert-butyl N-[4-[[2-(3-carbamoyl-5-methoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate

C28H28N4O5 — CID 140750477

IUPACtert-butyl N-[4-[[2-(3-carbamoyl-5-methoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate
SMILESCOc1cc(Nc2cc(Oc3ccc(NC(=O)OC(C)(C)C)c4ccccc34)ccn2)cc(C(N)=O)c1
InChIInChI=1S/C28H28N4O5/c1-28(2,3)37-27(34)32-23-9-10-24(22-8-6-5-7-21(22)23)36-19-11-12-30-25(16-19)31-18-13-17(26(29)33)14-20(15-18)35-4/h5-16H,1-4H3,(H2,29,33)(H,30,31)(H,32,34)
InChIKeyXLMCEFJTZCMHJJ-UHFFFAOYSA-N
MW500.56 g/mol
LogP6.23
Rot. Bonds7

About tert-butyl N-[4-[[2-(3-carbamoyl-5-methoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate

tert-butyl N-[4-[[2-(3-carbamoyl-5-methoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate (PubChem CID 140750477) has the molecular formula C28H28N4O5 and a molecular weight of 500.56 g/mol. Its IUPAC name is tert-butyl N-[4-[[2-(3-carbamoyl-5-methoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[2-(3-carbamoyl-5-methoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate
PubChem CID140750477
Molecular FormulaC28H28N4O5
Molecular Weight500.56 g/mol
Exact Mass500.21
IUPAC Nametert-butyl N-[4-[[2-(3-carbamoyl-5-methoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate
SMILESCOc1cc(Nc2cc(Oc3ccc(NC(=O)OC(C)(C)C)c4ccccc34)ccn2)cc(C(N)=O)c1
InChIInChI=1S/C28H28N4O5/c1-28(2,3)37-27(34)32-23-9-10-24(22-8-6-5-7-21(22)23)36-19-11-12-30-25(16-19)31-18-13-17(26(29)33)14-20(15-18)35-4/h5-16H,1-4H3,(H2,29,33)(H,30,31)(H,32,34)
InChIKeyXLMCEFJTZCMHJJ-UHFFFAOYSA-N
XLogP6.23
TPSA124.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.56
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[4-[[2-(3-carbamoyl-5-methoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-[[2-(3,5-dimethylanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate
CID 140750480
[4-[[2-(3,5-dimethoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid
CID 122653084
[4-[[2-[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anilino]-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid
CID 90159624
tert-butyl N-[4-[[2-[4-[ethoxy(methyl)phosphoryl]-3-methylanilino]-4-pyridinyl]oxy]naphthalen-1-yl]carbamate
CID 131747288
2-[3-[[4-[[2-(3-aminosulfanyl-5-methoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamoylamino]-5-tert-butyl-2-methoxyphenyl]acetamide
CID 144866950
1-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-[4-[[2-(3-methoxy-5-methylanilino)-4-pyridinyl]oxy]naphthalen-1-yl]urea
CID 145380097
1-(3-tert-butyl-5-dimethylphosphorylphenyl)-3-[4-[[2-[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anilino]-4-pyridinyl]oxy]naphthalen-1-yl]urea
CID 118168383
3-[[4-[4-[[5-tert-butyl-2-methoxy-3-(methylsulfanylamino)phenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-5-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 155396434
[4-[[2-[3-ethynyl-5-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]anilino]-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid
CID 90422157
3-[[4-[4-[(5-tert-butyl-3-dimethylphosphoryl-2-methoxyphenyl)carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-5-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 118168470
3-[[4-[4-[[5-tert-butyl-3-(dimethylphosphanylmethyl)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-5-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 144866951
2-[2-[2-[3-[[4-[4-[[5-tert-butyl-2-methoxy-3-(methylsulfanylamino)phenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-5-methoxyphenoxy]ethoxy]ethoxy]acetic acid
CID 167097077

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[2-(3-carbamoyl-5-methoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[[2-(3-carbamoyl-5-methoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate (CID 140750477) is tert-butyl N-[4-[[2-(3-carbamoyl-5-methoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[2-(3-carbamoyl-5-methoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[2-(3-carbamoyl-5-methoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate is COc1cc(Nc2cc(Oc3ccc(NC(=O)OC(C)(C)C)c4ccccc34)ccn2)cc(C(N)=O)c1.
What is the InChIKey of tert-butyl N-[4-[[2-(3-carbamoyl-5-methoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate?
The InChIKey is XLMCEFJTZCMHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O5/c1-28(2,3)37-27(34)32-23-9-10-24(22-8-6-5-7-21(22)23)36-19-11-12-30-25(16-19)31-18-13-17(26(29)33)14-20(15-18)35-4/h5-16H,1-4H3,(H2,29,33)(H,30,31)(H,32,34).
What are the key properties of tert-butyl N-[4-[[2-(3-carbamoyl-5-methoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate?
tert-butyl N-[4-[[2-(3-carbamoyl-5-methoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate has a molecular weight of 500.56 g/mol, XLogP of 6.23, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[2-(3-carbamoyl-5-methoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate is sourced from PubChem (CID 140750477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).