6-[4-(4-methylpiperidin-1-yl)anilino]-N-propylpyridazine-3-carboxamide

C20H27N5O — CID 109109356

IUPAC6-[4-(4-methylpiperidin-1-yl)anilino]-N-propylpyridazine-3-carboxamide
SMILESCCCNC(=O)c1ccc(Nc2ccc(N3CCC(C)CC3)cc2)nn1
InChIInChI=1S/C20H27N5O/c1-3-12-21-20(26)18-8-9-19(24-23-18)22-16-4-6-17(7-5-16)25-13-10-15(2)11-14-25/h4-9,15H,3,10-14H2,1-2H3,(H,21,26)(H,22,24)
InChIKeyCROVHOKGWHHYTD-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.60
Rot. Bonds6

About 6-[4-(4-methylpiperidin-1-yl)anilino]-N-propylpyridazine-3-carboxamide

6-[4-(4-methylpiperidin-1-yl)anilino]-N-propylpyridazine-3-carboxamide (PubChem CID 109109356) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 6-[4-(4-methylpiperidin-1-yl)anilino]-N-propylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(4-methylpiperidin-1-yl)anilino]-N-propylpyridazine-3-carboxamide
PubChem CID109109356
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name6-[4-(4-methylpiperidin-1-yl)anilino]-N-propylpyridazine-3-carboxamide
SMILESCCCNC(=O)c1ccc(Nc2ccc(N3CCC(C)CC3)cc2)nn1
InChIInChI=1S/C20H27N5O/c1-3-12-21-20(26)18-8-9-19(24-23-18)22-16-4-6-17(7-5-16)25-13-10-15(2)11-14-25/h4-9,15H,3,10-14H2,1-2H3,(H,21,26)(H,22,24)
InChIKeyCROVHOKGWHHYTD-UHFFFAOYSA-N
XLogP3.60
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.60
H-Bond Donors ≤ 52
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-(furan-2-ylmethyl)-6-[4-(4-methylpiperidin-1-yl)anilino]pyridazine-3-carboxamide
CID 109117644
6-(butylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109110730
6-(4-acetylanilino)-N-propylpyridazine-3-carboxamide
CID 109109344
6-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109109946
N-[6-[4-(4-methylpiperidin-1-yl)anilino]pyridazin-3-yl]benzamide
CID 113049793
6-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109125219
6-(4-ethoxyanilino)-N-propylpyridazine-3-carboxamide
CID 109109333
6-(3,5-dimethylanilino)-N-propylpyridazine-3-carboxamide
CID 109109300
3-N-[4-(4-methylpiperidin-1-yl)phenyl]-1-N-propylbenzene-1,3-dicarboxamide
CID 109050431
6-(cyclopropylamino)-N-propylpyridazine-3-carboxamide
CID 109109200
N-[2-(cyclohexen-1-yl)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide
CID 109113696
5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-2-carboxamide
CID 109179197

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methylpiperidin-1-yl)anilino]-N-propylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-(4-methylpiperidin-1-yl)anilino]-N-propylpyridazine-3-carboxamide (CID 109109356) is 6-[4-(4-methylpiperidin-1-yl)anilino]-N-propylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(4-methylpiperidin-1-yl)anilino]-N-propylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(4-methylpiperidin-1-yl)anilino]-N-propylpyridazine-3-carboxamide is CCCNC(=O)c1ccc(Nc2ccc(N3CCC(C)CC3)cc2)nn1.
What is the InChIKey of 6-[4-(4-methylpiperidin-1-yl)anilino]-N-propylpyridazine-3-carboxamide?
The InChIKey is CROVHOKGWHHYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-3-12-21-20(26)18-8-9-19(24-23-18)22-16-4-6-17(7-5-16)25-13-10-15(2)11-14-25/h4-9,15H,3,10-14H2,1-2H3,(H,21,26)(H,22,24).
What are the key properties of 6-[4-(4-methylpiperidin-1-yl)anilino]-N-propylpyridazine-3-carboxamide?
6-[4-(4-methylpiperidin-1-yl)anilino]-N-propylpyridazine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methylpiperidin-1-yl)anilino]-N-propylpyridazine-3-carboxamide is sourced from PubChem (CID 109109356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).