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

C18H20BrN3O4 — CID 67868521

IUPAC2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)-N-methylcarbamate
SMILESCN(CCO)C(=O)OCCN(C(=O)c1cncc(Br)c1)c1ccccc1
InChIInChI=1S/C18H20BrN3O4/c1-21(7-9-23)18(25)26-10-8-22(16-5-3-2-4-6-16)17(24)14-11-15(19)13-20-12-14/h2-6,11-13,23H,7-10H2,1H3
InChIKeyJNJWXYLXRDGYNJ-UHFFFAOYSA-N
MW422.28 g/mol
LogP2.55
Rot. Bonds7

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

2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)-N-methylcarbamate (PubChem CID 67868521) has the molecular formula C18H20BrN3O4 and a molecular weight of 422.28 g/mol. Its IUPAC name is 2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)-N-methylcarbamate.

Molecular Properties

Compound Name2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)-N-methylcarbamate
PubChem CID67868521
Molecular FormulaC18H20BrN3O4
Molecular Weight422.28 g/mol
Exact Mass421.06
IUPAC Name2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)-N-methylcarbamate
SMILESCN(CCO)C(=O)OCCN(C(=O)c1cncc(Br)c1)c1ccccc1
InChIInChI=1S/C18H20BrN3O4/c1-21(7-9-23)18(25)26-10-8-22(16-5-3-2-4-6-16)17(24)14-11-15(19)13-20-12-14/h2-6,11-13,23H,7-10H2,1H3
InChIKeyJNJWXYLXRDGYNJ-UHFFFAOYSA-N
XLogP2.55
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)carbamate
CID 67868740
2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate
CID 67868188
5-bromo-N-phenyl-N-(2-phenylethyl)pyridine-3-carboxamide
CID 51126618
1-[2-(N-(5-bromopyridine-3-carbonyl)anilino)ethoxycarbonylamino]propan-2-yl acetate
CID 70359229
5-bromo-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 60793303
2-phenoxyethyl N-[2-[(5-bromopyridine-3-carbonyl)amino]ethyl]-N-phenylcarbamate
CID 67868615
3-N-butyl-5-N-ethyl-3-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109107334
3-N,5-N-bis(2-hydroxyethyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide
CID 22458041
(4-fluorophenyl)methyl N-[2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl]carbamate
CID 67843879
N-(4-aminophenyl)-5-bromo-N-ethylpyridine-3-carboxamide
CID 63230213
N-butyl-5-hydroxy-N-phenylpyridine-3-carboxamide
CID 64586177
2-[N-(pyridine-4-carbonyl)anilino]ethyl 4-bromobenzoate
CID 21237364

Frequently Asked Questions

What is the IUPAC name of 2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)-N-methylcarbamate?
The IUPAC name of 2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)-N-methylcarbamate (CID 67868521) is 2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)-N-methylcarbamate.
What is the SMILES notation for 2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)-N-methylcarbamate?
The canonical SMILES for 2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)-N-methylcarbamate is CN(CCO)C(=O)OCCN(C(=O)c1cncc(Br)c1)c1ccccc1.
What is the InChIKey of 2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)-N-methylcarbamate?
The InChIKey is JNJWXYLXRDGYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O4/c1-21(7-9-23)18(25)26-10-8-22(16-5-3-2-4-6-16)17(24)14-11-15(19)13-20-12-14/h2-6,11-13,23H,7-10H2,1H3.
What are the key properties of 2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)-N-methylcarbamate?
2-(N-(5-bromopyridine-3-carbonyl)anilino)ethyl N-(2-hydroxyethyl)-N-methylcarbamate has a molecular weight of 422.28 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 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)-N-methylcarbamate is sourced from PubChem (CID 67868521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).