1-butyl-N-[(3-chlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide

C17H20ClN3O2 — CID 78770523

IUPAC1-butyl-N-[(3-chlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)N(C)Cc2cccc(Cl)c2)ccc1=O
InChIInChI=1S/C17H20ClN3O2/c1-3-4-10-21-16(22)9-8-15(19-21)17(23)20(2)12-13-6-5-7-14(18)11-13/h5-9,11H,3-4,10,12H2,1-2H3
InChIKeyZJUGIARBNAQYSQ-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.97
Rot. Bonds6

About 1-butyl-N-[(3-chlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide

1-butyl-N-[(3-chlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 78770523) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 1-butyl-N-[(3-chlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[(3-chlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
PubChem CID78770523
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name1-butyl-N-[(3-chlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)N(C)Cc2cccc(Cl)c2)ccc1=O
InChIInChI=1S/C17H20ClN3O2/c1-3-4-10-21-16(22)9-8-15(19-21)17(23)20(2)12-13-6-5-7-14(18)11-13/h5-9,11H,3-4,10,12H2,1-2H3
InChIKeyZJUGIARBNAQYSQ-UHFFFAOYSA-N
XLogP2.97
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-butyl-N-[(3-chlorophenyl)methyl]-N-methyl-6-oxopyridazine-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

1-butyl-N-[(2,3-dichlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
CID 55328835
1-butyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyridazine-3-carboxamide
CID 31645263
1-butyl-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide
CID 64511849
N-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 78779706
N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 18081113
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
CID 51143596
(2,6-dichlorophenyl) 1-butyl-6-oxopyridazine-3-carboxylate
CID 86975448
N-[(3-chlorophenyl)methyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 35691680
N-[(3-chlorophenyl)methyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
CID 55754908
1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide
CID 103919605
1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55515060
1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea
CID 115618548

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[(3-chlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-[(3-chlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide (CID 78770523) is 1-butyl-N-[(3-chlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[(3-chlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[(3-chlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)N(C)Cc2cccc(Cl)c2)ccc1=O.
What is the InChIKey of 1-butyl-N-[(3-chlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is ZJUGIARBNAQYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-3-4-10-21-16(22)9-8-15(19-21)17(23)20(2)12-13-6-5-7-14(18)11-13/h5-9,11H,3-4,10,12H2,1-2H3.
What are the key properties of 1-butyl-N-[(3-chlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide?
1-butyl-N-[(3-chlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[(3-chlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 78770523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).