N-[4-(2-amino-2-oxoethoxy)phenyl]-2-bromopyridine-4-carboxamide

C14H12BrN3O3 — CID 103752263

IUPACN-[4-(2-amino-2-oxoethoxy)phenyl]-2-bromopyridine-4-carboxamide
SMILESNC(=O)COc1ccc(NC(=O)c2ccnc(Br)c2)cc1
InChIInChI=1S/C14H12BrN3O3/c15-12-7-9(5-6-17-12)14(20)18-10-1-3-11(4-2-10)21-8-13(16)19/h1-7H,8H2,(H2,16,19)(H,18,20)
InChIKeyQZLVFZJIYKOIFX-UHFFFAOYSA-N
MW350.17 g/mol
LogP1.96
Rot. Bonds5

About N-[4-(2-amino-2-oxoethoxy)phenyl]-2-bromopyridine-4-carboxamide

N-[4-(2-amino-2-oxoethoxy)phenyl]-2-bromopyridine-4-carboxamide (PubChem CID 103752263) has the molecular formula C14H12BrN3O3 and a molecular weight of 350.17 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)phenyl]-2-bromopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)phenyl]-2-bromopyridine-4-carboxamide
PubChem CID103752263
Molecular FormulaC14H12BrN3O3
Molecular Weight350.17 g/mol
Exact Mass349.01
IUPAC NameN-[4-(2-amino-2-oxoethoxy)phenyl]-2-bromopyridine-4-carboxamide
SMILESNC(=O)COc1ccc(NC(=O)c2ccnc(Br)c2)cc1
InChIInChI=1S/C14H12BrN3O3/c15-12-7-9(5-6-17-12)14(20)18-10-1-3-11(4-2-10)21-8-13(16)19/h1-7H,8H2,(H2,16,19)(H,18,20)
InChIKeyQZLVFZJIYKOIFX-UHFFFAOYSA-N
XLogP1.96
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-amino-2-oxoethoxy)phenyl]-2-chloropyridine-4-carboxamide
CID 38383627
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide
CID 103752137
N-[4-(2-amino-2-oxoethoxy)phenyl]-6-bromopyridine-3-carboxamide
CID 66464099
2-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-4-carboxamide
CID 103751880
2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 113255068
2-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 103753891
4-(2-amino-2-oxoethoxy)-N-phenylbenzamide
CID 27166758
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-cyanobenzamide
CID 38380319
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(dimethylamino)benzamide
CID 38381278
2-bromo-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide
CID 103756372
3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]pyrazine-2-carboxamide
CID 30831083
2-bromo-N-(3-carbamoyl-4-fluorophenyl)pyridine-4-carboxamide
CID 103754415

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-2-bromopyridine-4-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-2-bromopyridine-4-carboxamide (CID 103752263) is N-[4-(2-amino-2-oxoethoxy)phenyl]-2-bromopyridine-4-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)phenyl]-2-bromopyridine-4-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)phenyl]-2-bromopyridine-4-carboxamide is NC(=O)COc1ccc(NC(=O)c2ccnc(Br)c2)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)phenyl]-2-bromopyridine-4-carboxamide?
The InChIKey is QZLVFZJIYKOIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O3/c15-12-7-9(5-6-17-12)14(20)18-10-1-3-11(4-2-10)21-8-13(16)19/h1-7H,8H2,(H2,16,19)(H,18,20).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)phenyl]-2-bromopyridine-4-carboxamide?
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-bromopyridine-4-carboxamide has a molecular weight of 350.17 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethoxy)phenyl]-2-bromopyridine-4-carboxamide is sourced from PubChem (CID 103752263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).