2-bromo-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide

C14H16BrN3O2 — CID 22160509

IUPAC2-bromo-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
SMILESCC(Br)C(=O)Nc1ccc(C2=NNC(=O)CC2C)cc1
InChIInChI=1S/C14H16BrN3O2/c1-8-7-12(19)17-18-13(8)10-3-5-11(6-4-10)16-14(20)9(2)15/h3-6,8-9H,7H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyBJBIKCDDHROHFL-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.27
Rot. Bonds3

About 2-bromo-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide

2-bromo-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide (PubChem CID 22160509) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 2-bromo-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
PubChem CID22160509
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name2-bromo-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
SMILESCC(Br)C(=O)Nc1ccc(C2=NNC(=O)CC2C)cc1
InChIInChI=1S/C14H16BrN3O2/c1-8-7-12(19)17-18-13(8)10-3-5-11(6-4-10)16-14(20)9(2)15/h3-6,8-9H,7H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyBJBIKCDDHROHFL-UHFFFAOYSA-N
XLogP2.27
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide 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-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide
CID 10562323
2,3-dimethyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-4-oxopentanethioamide
CID 88654008
(4R)-4-amino-5-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-5-oxopentanoic acid
CID 70374887
3,3,3-trifluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
CID 70599674
(2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
CID 70375146
4-amino-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide
CID 19854552
2-cyano-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
CID 13193381
2,2-dichloro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide
CID 12807338
S-(4-fluorophenyl) N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioate
CID 54307860
4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide
CID 14623690
N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]furan-2-carboxamide
CID 13228917
cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate
CID 12805020

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide?
The IUPAC name of 2-bromo-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide (CID 22160509) is 2-bromo-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide.
What is the SMILES notation for 2-bromo-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide?
The canonical SMILES for 2-bromo-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide is CC(Br)C(=O)Nc1ccc(C2=NNC(=O)CC2C)cc1.
What is the InChIKey of 2-bromo-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide?
The InChIKey is BJBIKCDDHROHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-8-7-12(19)17-18-13(8)10-3-5-11(6-4-10)16-14(20)9(2)15/h3-6,8-9H,7H2,1-2H3,(H,16,20)(H,17,19).
What are the key properties of 2-bromo-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide?
2-bromo-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide has a molecular weight of 338.21 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide is sourced from PubChem (CID 22160509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).