2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-naphthalen-1-ylcarbamate

C25H20BrN3O3 — CID 67868212

IUPAC2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-naphthalen-1-ylcarbamate
SMILESO=C(Nc1cccc2ccccc12)OCCc1ccc(NC(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C25H20BrN3O3/c26-20-14-19(15-27-16-20)24(30)28-21-10-8-17(9-11-21)12-13-32-25(31)29-23-7-3-5-18-4-1-2-6-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)
InChIKeyIAZGSOFHYPSZRO-UHFFFAOYSA-N
MW490.36 g/mol
LogP6.04
Rot. Bonds6

About 2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-naphthalen-1-ylcarbamate

2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-naphthalen-1-ylcarbamate (PubChem CID 67868212) has the molecular formula C25H20BrN3O3 and a molecular weight of 490.36 g/mol. Its IUPAC name is 2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-naphthalen-1-ylcarbamate.

Molecular Properties

Compound Name2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-naphthalen-1-ylcarbamate
PubChem CID67868212
Molecular FormulaC25H20BrN3O3
Molecular Weight490.36 g/mol
Exact Mass489.07
IUPAC Name2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-naphthalen-1-ylcarbamate
SMILESO=C(Nc1cccc2ccccc12)OCCc1ccc(NC(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C25H20BrN3O3/c26-20-14-19(15-27-16-20)24(30)28-21-10-8-17(9-11-21)12-13-32-25(31)29-23-7-3-5-18-4-1-2-6-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)
InChIKeyIAZGSOFHYPSZRO-UHFFFAOYSA-N
XLogP6.04
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.36
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-(5-hydroxypentan-2-yl)carbamate
CID 67868685
5-bromo-N-[4-(bromomethyl)phenyl]pyridine-3-carboxamide
CID 113274680
4-[(4-bromobenzoyl)amino]-N-naphthalen-1-ylbenzamide
CID 1215843
5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 33152161
N-[3-(aminomethyl)phenyl]-5-bromopyridine-3-carboxamide
CID 55168003
5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 835761
N-[2-(2-amino-2-oxoethyl)phenyl]-5-bromopyridine-3-carboxamide
CID 47166830
5-hydroxy-N-[4-(sulfamoylmethyl)phenyl]pyridine-3-carboxamide
CID 63851733
N-(4-bromophenyl)-5-hydroxypyridine-3-carboxamide
CID 63851687
N-[4-[1-[[4-(aminomethyl)phenyl]methylamino]-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide
CID 23770287
5-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 837055
N-(4-ethylphenyl)-5-hydroxypyridine-3-carboxamide
CID 55258455

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-naphthalen-1-ylcarbamate?
The IUPAC name of 2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-naphthalen-1-ylcarbamate (CID 67868212) is 2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-naphthalen-1-ylcarbamate.
What is the SMILES notation for 2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-naphthalen-1-ylcarbamate?
The canonical SMILES for 2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-naphthalen-1-ylcarbamate is O=C(Nc1cccc2ccccc12)OCCc1ccc(NC(=O)c2cncc(Br)c2)cc1.
What is the InChIKey of 2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-naphthalen-1-ylcarbamate?
The InChIKey is IAZGSOFHYPSZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrN3O3/c26-20-14-19(15-27-16-20)24(30)28-21-10-8-17(9-11-21)12-13-32-25(31)29-23-7-3-5-18-4-1-2-6-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31).
What are the key properties of 2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-naphthalen-1-ylcarbamate?
2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-naphthalen-1-ylcarbamate has a molecular weight of 490.36 g/mol, XLogP of 6.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-naphthalen-1-ylcarbamate is sourced from PubChem (CID 67868212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).