6-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide

C23H31N5O — CID 109125996

IUPAC6-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc(N4CCCC(C)C4)nn3)cc2)CC1
InChIInChI=1S/C23H31N5O/c1-17-11-14-27(15-12-17)20-7-5-19(6-8-20)24-23(29)21-9-10-22(26-25-21)28-13-3-4-18(2)16-28/h5-10,17-18H,3-4,11-16H2,1-2H3,(H,24,29)
InChIKeyOFJOPFCWBJENBF-UHFFFAOYSA-N
MW393.54 g/mol
LogP4.20
Rot. Bonds4

About 6-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide

6-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide (PubChem CID 109125996) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is 6-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
PubChem CID109125996
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name6-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc(N4CCCC(C)C4)nn3)cc2)CC1
InChIInChI=1S/C23H31N5O/c1-17-11-14-27(15-12-17)20-7-5-19(6-8-20)24-23(29)21-9-10-22(26-25-21)28-13-3-4-18(2)16-28/h5-10,17-18H,3-4,11-16H2,1-2H3,(H,24,29)
InChIKeyOFJOPFCWBJENBF-UHFFFAOYSA-N
XLogP4.20
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanophenyl)-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109126028
N-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109113214
N-tert-butyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109124840
6-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109109946
6-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109113261
4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109218267
N-(2,3-dichlorophenyl)-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109126021
N-butan-2-yl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109111616
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355106
6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109604
1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid
CID 122051199
6-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109125219

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide (CID 109125996) is 6-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide is CC1CCN(c2ccc(NC(=O)c3ccc(N4CCCC(C)C4)nn3)cc2)CC1.
What is the InChIKey of 6-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide?
The InChIKey is OFJOPFCWBJENBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-17-11-14-27(15-12-17)20-7-5-19(6-8-20)24-23(29)21-9-10-22(26-25-21)28-13-3-4-18(2)16-28/h5-10,17-18H,3-4,11-16H2,1-2H3,(H,24,29).
What are the key properties of 6-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide?
6-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide has a molecular weight of 393.54 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109125996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).