1-butyl-N-[(2,3-dichlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide

C17H19Cl2N3O2 — CID 55328835

IUPAC1-butyl-N-[(2,3-dichlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)N(C)Cc2cccc(Cl)c2Cl)ccc1=O
InChIInChI=1S/C17H19Cl2N3O2/c1-3-4-10-22-15(23)9-8-14(20-22)17(24)21(2)11-12-6-5-7-13(18)16(12)19/h5-9H,3-4,10-11H2,1-2H3
InChIKeyNLODDEISWQXXJX-UHFFFAOYSA-N
MW368.26 g/mol
LogP3.62
Rot. Bonds6

About 1-butyl-N-[(2,3-dichlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide

1-butyl-N-[(2,3-dichlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 55328835) has the molecular formula C17H19Cl2N3O2 and a molecular weight of 368.26 g/mol. Its IUPAC name is 1-butyl-N-[(2,3-dichlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[(2,3-dichlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
PubChem CID55328835
Molecular FormulaC17H19Cl2N3O2
Molecular Weight368.26 g/mol
Exact Mass367.09
IUPAC Name1-butyl-N-[(2,3-dichlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)N(C)Cc2cccc(Cl)c2Cl)ccc1=O
InChIInChI=1S/C17H19Cl2N3O2/c1-3-4-10-22-15(23)9-8-14(20-22)17(24)21(2)11-12-6-5-7-13(18)16(12)19/h5-9H,3-4,10-11H2,1-2H3
InChIKeyNLODDEISWQXXJX-UHFFFAOYSA-N
XLogP3.62
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-N-[(3-chlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
CID 78770523
(2,6-dichlorophenyl) 1-butyl-6-oxopyridazine-3-carboxylate
CID 86975448
1-butyl-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide
CID 64511849
1-butyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyridazine-3-carboxamide
CID 31645263
1-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-6-oxopyridazine-3-carboxamide
CID 51233079
1-butyl-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 55981672
N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 18081113
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 55400244
N-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 134019234
N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 55957270
1-butyl-6-oxo-N-prop-2-ynylpyridazine-3-carboxamide
CID 30600615
1-nonyl-6-oxopyridazine-3-carboxylic acid
CID 114695797

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[(2,3-dichlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-[(2,3-dichlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide (CID 55328835) is 1-butyl-N-[(2,3-dichlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[(2,3-dichlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[(2,3-dichlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)N(C)Cc2cccc(Cl)c2Cl)ccc1=O.
What is the InChIKey of 1-butyl-N-[(2,3-dichlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is NLODDEISWQXXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O2/c1-3-4-10-22-15(23)9-8-14(20-22)17(24)21(2)11-12-6-5-7-13(18)16(12)19/h5-9H,3-4,10-11H2,1-2H3.
What are the key properties of 1-butyl-N-[(2,3-dichlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide?
1-butyl-N-[(2,3-dichlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 368.26 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[(2,3-dichlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 55328835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).