6-(4-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxamide

C17H14BrN3O3 — CID 49393966

IUPAC6-(4-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxamide
SMILESC#CCNC(=O)CNC(=O)c1ccc(Oc2ccc(Br)cc2)nc1
InChIInChI=1S/C17H14BrN3O3/c1-2-9-19-15(22)11-21-17(23)12-3-8-16(20-10-12)24-14-6-4-13(18)5-7-14/h1,3-8,10H,9,11H2,(H,19,22)(H,21,23)
InChIKeyPVAXLFPDSFJONX-UHFFFAOYSA-N
MW388.22 g/mol
LogP2.12
Rot. Bonds6

About 6-(4-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxamide

6-(4-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxamide (PubChem CID 49393966) has the molecular formula C17H14BrN3O3 and a molecular weight of 388.22 g/mol. Its IUPAC name is 6-(4-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxamide
PubChem CID49393966
Molecular FormulaC17H14BrN3O3
Molecular Weight388.22 g/mol
Exact Mass387.02
IUPAC Name6-(4-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxamide
SMILESC#CCNC(=O)CNC(=O)c1ccc(Oc2ccc(Br)cc2)nc1
InChIInChI=1S/C17H14BrN3O3/c1-2-9-19-15(22)11-21-17(23)12-3-8-16(20-10-12)24-14-6-4-13(18)5-7-14/h1,3-8,10H,9,11H2,(H,19,22)(H,21,23)
InChIKeyPVAXLFPDSFJONX-UHFFFAOYSA-N
XLogP2.12
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(4-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-methylpropyl)-6-(4-bromophenoxy)pyridine-3-carboxamide;dihydrochloride
CID 119625868
N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 46488305
6-(4-bromophenoxy)-N-[3-(thiophene-2-carbonylamino)propyl]pyridine-3-carboxamide
CID 60610306
2-[(6-phenoxypyridine-3-carbonyl)amino]acetic acid
CID 163226654
6-(4-bromophenoxy)-N-(1-cyanocyclopentyl)pyridine-3-carboxamide
CID 87017609
6-(4-bromophenoxy)-N-prop-2-ynyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 86849751
6-(4-bromophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 46488695
4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 18110113
6-(4-bromophenoxy)-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 55792268
6-(4-bromophenoxy)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 51117837
6-(4-bromophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 55786679
N-(4-aminocyclohexyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 119474511

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxamide (CID 49393966) is 6-(4-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxamide is C#CCNC(=O)CNC(=O)c1ccc(Oc2ccc(Br)cc2)nc1.
What is the InChIKey of 6-(4-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxamide?
The InChIKey is PVAXLFPDSFJONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O3/c1-2-9-19-15(22)11-21-17(23)12-3-8-16(20-10-12)24-14-6-4-13(18)5-7-14/h1,3-8,10H,9,11H2,(H,19,22)(H,21,23).
What are the key properties of 6-(4-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxamide?
6-(4-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxamide has a molecular weight of 388.22 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 49393966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).