2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)carbamate

C17H18BrN3O4 — CID 67868740

IUPAC2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)carbamate
SMILESO=C(NCCO)OCCN(C(=O)c1cncc(Br)c1)c1ccccc1
InChIInChI=1S/C17H18BrN3O4/c18-14-10-13(11-19-12-14)16(23)21(15-4-2-1-3-5-15)7-9-25-17(24)20-6-8-22/h1-5,10-12,22H,6-9H2,(H,20,24)
InChIKeyHWKOPSYFSVIRIE-UHFFFAOYSA-N
MW408.25 g/mol
LogP2.21
Rot. Bonds7

About 2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)carbamate

2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)carbamate (PubChem CID 67868740) has the molecular formula C17H18BrN3O4 and a molecular weight of 408.25 g/mol. Its IUPAC name is 2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Name2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)carbamate
PubChem CID67868740
Molecular FormulaC17H18BrN3O4
Molecular Weight408.25 g/mol
Exact Mass407.05
IUPAC Name2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)carbamate
SMILESO=C(NCCO)OCCN(C(=O)c1cncc(Br)c1)c1ccccc1
InChIInChI=1S/C17H18BrN3O4/c18-14-10-13(11-19-12-14)16(23)21(15-4-2-1-3-5-15)7-9-25-17(24)20-6-8-22/h1-5,10-12,22H,6-9H2,(H,20,24)
InChIKeyHWKOPSYFSVIRIE-UHFFFAOYSA-N
XLogP2.21
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.25
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate
CID 67868188
1-[2-(N-(5-bromopyridine-3-carbonyl)anilino)ethoxycarbonylamino]propan-2-yl acetate
CID 70359229
2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)-N-methylcarbamate
CID 67868521
(4-fluorophenyl)methyl N-[2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl]carbamate
CID 67843879
5-bromo-N-phenyl-N-(2-phenylethyl)pyridine-3-carboxamide
CID 51126618
[2-[2-(N-(5-bromopyridine-3-carbonyl)anilino)ethoxycarbonylamino]-1-phenylethyl] 1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 54233141
2-phenoxyethyl N-[2-[(5-bromopyridine-3-carbonyl)amino]ethyl]-N-phenylcarbamate
CID 67868615
2-(N-(5-bromo-1-ethylpyridin-1-ium-3-carbonyl)anilino)ethyl N-(2-naphthalen-1-yloxyethyl)carbamate
CID 15101215
N-butyl-5-hydroxy-N-phenylpyridine-3-carboxamide
CID 64586177
2-[N-(pyridine-4-carbonyl)anilino]ethyl 4-bromobenzoate
CID 21237364
N-(4-aminophenyl)-5-bromo-N-ethylpyridine-3-carboxamide
CID 63230213
N-ethyl-5-(N-ethylanilino)-N-phenylpyridine-3-carboxamide
CID 109243544

Frequently Asked Questions

What is the IUPAC name of 2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)carbamate?
The IUPAC name of 2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)carbamate (CID 67868740) is 2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for 2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)carbamate?
The canonical SMILES for 2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)carbamate is O=C(NCCO)OCCN(C(=O)c1cncc(Br)c1)c1ccccc1.
What is the InChIKey of 2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)carbamate?
The InChIKey is HWKOPSYFSVIRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O4/c18-14-10-13(11-19-12-14)16(23)21(15-4-2-1-3-5-15)7-9-25-17(24)20-6-8-22/h1-5,10-12,22H,6-9H2,(H,20,24).
What are the key properties of 2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)carbamate?
2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)carbamate has a molecular weight of 408.25 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 67868740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).