6-[butyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide

C18H23ClN4O — CID 109125564

IUPAC6-[butyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide
SMILESCCCCN(C)c1ccc(C(=O)NCCc2cccc(Cl)c2)nn1
InChIInChI=1S/C18H23ClN4O/c1-3-4-12-23(2)17-9-8-16(21-22-17)18(24)20-11-10-14-6-5-7-15(19)13-14/h5-9,13H,3-4,10-12H2,1-2H3,(H,20,24)
InChIKeyKIIFNRNXWMJWPJ-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.34
Rot. Bonds8

About 6-[butyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide

6-[butyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide (PubChem CID 109125564) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[butyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide
PubChem CID109125564
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name6-[butyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide
SMILESCCCCN(C)c1ccc(C(=O)NCCc2cccc(Cl)c2)nn1
InChIInChI=1S/C18H23ClN4O/c1-3-4-12-23(2)17-9-8-16(21-22-17)18(24)20-11-10-14-6-5-7-15(19)13-14/h5-9,13H,3-4,10-12H2,1-2H3,(H,20,24)
InChIKeyKIIFNRNXWMJWPJ-UHFFFAOYSA-N
XLogP3.34
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-[butyl(methyl)amino]pyridazine-3-carboxamide
CID 109117888
N-[2-(3-chlorophenyl)ethyl]-6-propan-2-ylpyridazine-3-carboxamide
CID 113200400
N-[2-(3-chlorophenyl)ethyl]-5-(dipropylamino)pyridine-2-carboxamide
CID 109196611
N-[2-(3-chlorophenyl)ethyl]-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109126338
6-[butyl(methyl)amino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350562
6-[butyl(methyl)amino]-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 109125594
3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056265
N-[2-(3-chlorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113787
6-[benzyl(methyl)amino]-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 109118961
6-[butyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109125615
N-[2-(3-chlorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109173178
6-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109125585

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-[butyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide (CID 109125564) is 6-[butyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[butyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-[butyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide is CCCCN(C)c1ccc(C(=O)NCCc2cccc(Cl)c2)nn1.
What is the InChIKey of 6-[butyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide?
The InChIKey is KIIFNRNXWMJWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-3-4-12-23(2)17-9-8-16(21-22-17)18(24)20-11-10-14-6-5-7-15(19)13-14/h5-9,13H,3-4,10-12H2,1-2H3,(H,20,24).
What are the key properties of 6-[butyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide?
6-[butyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 3.34, 8 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-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109125564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).