6-[butyl(methyl)amino]-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide

C17H21ClN4O — CID 109125594

IUPAC6-[butyl(methyl)amino]-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide
SMILESCCCCN(C)c1ccc(C(=O)Nc2cccc(Cl)c2C)nn1
InChIInChI=1S/C17H21ClN4O/c1-4-5-11-22(3)16-10-9-15(20-21-16)17(23)19-14-8-6-7-13(18)12(14)2/h6-10H,4-5,11H2,1-3H3,(H,19,23)
InChIKeyCPLJOSPNWMFKLK-UHFFFAOYSA-N
MW332.84 g/mol
LogP3.93
Rot. Bonds6

About 6-[butyl(methyl)amino]-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide

6-[butyl(methyl)amino]-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide (PubChem CID 109125594) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[butyl(methyl)amino]-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide
PubChem CID109125594
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name6-[butyl(methyl)amino]-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide
SMILESCCCCN(C)c1ccc(C(=O)Nc2cccc(Cl)c2C)nn1
InChIInChI=1S/C17H21ClN4O/c1-4-5-11-22(3)16-10-9-15(20-21-16)17(23)19-14-8-6-7-13(18)12(14)2/h6-10H,4-5,11H2,1-3H3,(H,19,23)
InChIKeyCPLJOSPNWMFKLK-UHFFFAOYSA-N
XLogP3.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-6-(N-methylanilino)pyridazine-3-carboxamide
CID 109127162
6-chloro-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 54927236
6-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109125585
6-[butyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109125615
6-[butyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 109125564
N-benzyl-6-[butyl(methyl)amino]pyridazine-3-carboxamide
CID 109117888
6-[butyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109125613
5-N-butyl-3-N-(3-chloro-2-methylphenyl)-5-N-methyl-1,2,4-triazine-3,5-diamine
CID 112960060
1,1-dibutyl-3-(3-chloro-2-methylphenyl)thiourea
CID 19653149
N-(3-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 31759188
N-(3-chloro-2-methylphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179356
2-N-(3-chloro-2-methylphenyl)-6-N,6-N-diethylpyridine-2,6-dicarboxamide
CID 109098998

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(methyl)amino]-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[butyl(methyl)amino]-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide (CID 109125594) is 6-[butyl(methyl)amino]-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[butyl(methyl)amino]-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[butyl(methyl)amino]-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide is CCCCN(C)c1ccc(C(=O)Nc2cccc(Cl)c2C)nn1.
What is the InChIKey of 6-[butyl(methyl)amino]-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide?
The InChIKey is CPLJOSPNWMFKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-4-5-11-22(3)16-10-9-15(20-21-16)17(23)19-14-8-6-7-13(18)12(14)2/h6-10H,4-5,11H2,1-3H3,(H,19,23).
What are the key properties of 6-[butyl(methyl)amino]-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide?
6-[butyl(methyl)amino]-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide has a molecular weight of 332.84 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(methyl)amino]-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109125594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).