2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate

C19H22BrN3O5 — CID 67868188

IUPAC2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate
SMILESO=C(NCCOCCO)OCCN(C(=O)c1cncc(Br)c1)c1ccccc1
InChIInChI=1S/C19H22BrN3O5/c20-16-12-15(13-21-14-16)18(25)23(17-4-2-1-3-5-17)7-10-28-19(26)22-6-9-27-11-8-24/h1-5,12-14,24H,6-11H2,(H,22,26)
InChIKeyUKKDUXZPHCCEML-UHFFFAOYSA-N
MW452.31 g/mol
LogP2.23
Rot. Bonds10

About 2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate

2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate (PubChem CID 67868188) has the molecular formula C19H22BrN3O5 and a molecular weight of 452.31 g/mol. Its IUPAC name is 2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate.

Molecular Properties

Compound Name2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate
PubChem CID67868188
Molecular FormulaC19H22BrN3O5
Molecular Weight452.31 g/mol
Exact Mass451.07
IUPAC Name2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate
SMILESO=C(NCCOCCO)OCCN(C(=O)c1cncc(Br)c1)c1ccccc1
InChIInChI=1S/C19H22BrN3O5/c20-16-12-15(13-21-14-16)18(25)23(17-4-2-1-3-5-17)7-10-28-19(26)22-6-9-27-11-8-24/h1-5,12-14,24H,6-11H2,(H,22,26)
InChIKeyUKKDUXZPHCCEML-UHFFFAOYSA-N
XLogP2.23
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)carbamate
CID 67868740
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-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]pyridine-3-carboxamide
CID 114263707

Frequently Asked Questions

What is the IUPAC name of 2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate?
The IUPAC name of 2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate (CID 67868188) is 2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate.
What is the SMILES notation for 2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate?
The canonical SMILES for 2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate is O=C(NCCOCCO)OCCN(C(=O)c1cncc(Br)c1)c1ccccc1.
What is the InChIKey of 2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate?
The InChIKey is UKKDUXZPHCCEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O5/c20-16-12-15(13-21-14-16)18(25)23(17-4-2-1-3-5-17)7-10-28-19(26)22-6-9-27-11-8-24/h1-5,12-14,24H,6-11H2,(H,22,26).
What are the key properties of 2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate?
2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate has a molecular weight of 452.31 g/mol, XLogP of 2.23, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate is sourced from PubChem (CID 67868188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).