2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

C17H15BrN4O2 — CID 37340334

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H15BrN4O2/c18-14-6-7-17(24)21(11-14)12-16(23)19-8-13-9-20-22(10-13)15-4-2-1-3-5-15/h1-7,9-11H,8,12H2,(H,19,23)
InChIKeyPEBODTDOCJNHRB-UHFFFAOYSA-N
MW387.24 g/mol
LogP2.11
Rot. Bonds5

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (PubChem CID 37340334) has the molecular formula C17H15BrN4O2 and a molecular weight of 387.24 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
PubChem CID37340334
Molecular FormulaC17H15BrN4O2
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H15BrN4O2/c18-14-6-7-17(24)21(11-14)12-16(23)19-8-13-9-20-22(10-13)15-4-2-1-3-5-15/h1-7,9-11H,8,12H2,(H,19,23)
InChIKeyPEBODTDOCJNHRB-UHFFFAOYSA-N
XLogP2.11
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide 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

2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 32720733
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride
CID 119699560
5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 134036052
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 55702442
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 55813462
2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 86795367
5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide
CID 43347095
N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 60718562
N-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 86918805
2-[[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetyl]amino]acetic acid
CID 43465461
4-[3-oxo-3-[(1-phenylpyrazol-4-yl)methylamino]propyl]benzoic acid
CID 84589243
2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(4-bromopyrazol-1-yl)phenyl]acetamide
CID 55764653

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (CID 37340334) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is O=C(Cn1cc(Br)ccc1=O)NCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The InChIKey is PEBODTDOCJNHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O2/c18-14-6-7-17(24)21(11-14)12-16(23)19-8-13-9-20-22(10-13)15-4-2-1-3-5-15/h1-7,9-11H,8,12H2,(H,19,23).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide has a molecular weight of 387.24 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 37340334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).