N-[4-(2-amino-2-oxoethoxy)phenyl]-6-bromopyridine-3-carboxamide

C14H12BrN3O3 — CID 66464099

IUPACN-[4-(2-amino-2-oxoethoxy)phenyl]-6-bromopyridine-3-carboxamide
SMILESNC(=O)COc1ccc(NC(=O)c2ccc(Br)nc2)cc1
InChIInChI=1S/C14H12BrN3O3/c15-12-6-1-9(7-17-12)14(20)18-10-2-4-11(5-3-10)21-8-13(16)19/h1-7H,8H2,(H2,16,19)(H,18,20)
InChIKeyFIOUKQWXVPQLJR-UHFFFAOYSA-N
MW350.17 g/mol
LogP1.96
Rot. Bonds5

About N-[4-(2-amino-2-oxoethoxy)phenyl]-6-bromopyridine-3-carboxamide

N-[4-(2-amino-2-oxoethoxy)phenyl]-6-bromopyridine-3-carboxamide (PubChem CID 66464099) 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]-6-bromopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)phenyl]-6-bromopyridine-3-carboxamide
PubChem CID66464099
Molecular FormulaC14H12BrN3O3
Molecular Weight350.17 g/mol
Exact Mass349.01
IUPAC NameN-[4-(2-amino-2-oxoethoxy)phenyl]-6-bromopyridine-3-carboxamide
SMILESNC(=O)COc1ccc(NC(=O)c2ccc(Br)nc2)cc1
InChIInChI=1S/C14H12BrN3O3/c15-12-6-1-9(7-17-12)14(20)18-10-2-4-11(5-3-10)21-8-13(16)19/h1-7H,8H2,(H2,16,19)(H,18,20)
InChIKeyFIOUKQWXVPQLJR-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-bromopyridine-4-carboxamide
CID 103752263
4-(2-amino-2-oxoethoxy)-N-phenylbenzamide
CID 27166758
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(dimethylamino)benzamide
CID 38381282
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-propylbenzamide
CID 60584849
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-chloropyridine-4-carboxamide
CID 38383627
6-bromo-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide
CID 79420958
6-bromo-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 66462687
3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]pyrazine-2-carboxamide
CID 30831083
4-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-N-(2-methoxyphenyl)benzamide
CID 9083669
2-N,5-N-bis(4-ethoxyphenyl)pyridine-2,5-dicarboxamide
CID 3252781
6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 66462669
6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide
CID 115669904

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-6-bromopyridine-3-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-6-bromopyridine-3-carboxamide (CID 66464099) is N-[4-(2-amino-2-oxoethoxy)phenyl]-6-bromopyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)phenyl]-6-bromopyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)phenyl]-6-bromopyridine-3-carboxamide is NC(=O)COc1ccc(NC(=O)c2ccc(Br)nc2)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)phenyl]-6-bromopyridine-3-carboxamide?
The InChIKey is FIOUKQWXVPQLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O3/c15-12-6-1-9(7-17-12)14(20)18-10-2-4-11(5-3-10)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]-6-bromopyridine-3-carboxamide?
N-[4-(2-amino-2-oxoethoxy)phenyl]-6-bromopyridine-3-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]-6-bromopyridine-3-carboxamide is sourced from PubChem (CID 66464099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).