N-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide

C18H22N4O — CID 109113214

IUPACN-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)nn2)cc1
InChIInChI=1S/C18H22N4O/c1-13-3-5-15(6-4-13)19-18(23)16-7-8-17(21-20-16)22-11-9-14(2)10-12-22/h3-8,14H,9-12H2,1-2H3,(H,19,23)
InChIKeyBWZJJUFJTCGOMC-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.27
Rot. Bonds3

About N-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide

N-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide (PubChem CID 109113214) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide
PubChem CID109113214
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)nn2)cc1
InChIInChI=1S/C18H22N4O/c1-13-3-5-15(6-4-13)19-18(23)16-7-8-17(21-20-16)22-11-9-14(2)10-12-22/h3-8,14H,9-12H2,1-2H3,(H,19,23)
InChIKeyBWZJJUFJTCGOMC-UHFFFAOYSA-N
XLogP3.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109113261
N-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109113150
6-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109125996
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109123192
6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966
6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109604
N-(4-chlorophenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122336002
6-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109109946
6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 133313211
N-(2-ethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109113251
N-(4-cyanophenyl)-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109126028
6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide
CID 109126365

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide (CID 109113214) is N-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)nn2)cc1.
What is the InChIKey of N-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide?
The InChIKey is BWZJJUFJTCGOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-3-5-15(6-4-13)19-18(23)16-7-8-17(21-20-16)22-11-9-14(2)10-12-22/h3-8,14H,9-12H2,1-2H3,(H,19,23).
What are the key properties of N-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide?
N-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109113214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).