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

C20H25N5O — CID 109109946

IUPAC6-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc(NC4CC4)nn3)cc2)CC1
InChIInChI=1S/C20H25N5O/c1-14-10-12-25(13-11-14)17-6-4-16(5-7-17)22-20(26)18-8-9-19(24-23-18)21-15-2-3-15/h4-9,14-15H,2-3,10-13H2,1H3,(H,21,24)(H,22,26)
InChIKeyYKBAVQNTOYQKEI-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.54
Rot. Bonds5

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

6-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide (PubChem CID 109109946) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 6-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
PubChem CID109109946
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name6-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc(NC4CC4)nn3)cc2)CC1
InChIInChI=1S/C20H25N5O/c1-14-10-12-25(13-11-14)17-6-4-16(5-7-17)22-20(26)18-8-9-19(24-23-18)21-15-2-3-15/h4-9,14-15H,2-3,10-13H2,1H3,(H,21,24)(H,22,26)
InChIKeyYKBAVQNTOYQKEI-UHFFFAOYSA-N
XLogP3.54
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.54
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

6-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109125219
6-(butylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109110730
2-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109295672
6-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109125996
6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridazine-3-carboxamide
CID 109109943
6-[4-(4-methylpiperidin-1-yl)anilino]-N-propylpyridazine-3-carboxamide
CID 109109356
N-(4-chlorophenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112186
6-(cyclopropylamino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109109890
N-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109113214
2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109249860
N-(3-acetamidophenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide
CID 109109935
6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide
CID 109124960

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide (CID 109109946) is 6-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide is CC1CCN(c2ccc(NC(=O)c3ccc(NC4CC4)nn3)cc2)CC1.
What is the InChIKey of 6-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide?
The InChIKey is YKBAVQNTOYQKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14-10-12-25(13-11-14)17-6-4-16(5-7-17)22-20(26)18-8-9-19(24-23-18)21-15-2-3-15/h4-9,14-15H,2-3,10-13H2,1H3,(H,21,24)(H,22,26).
What are the key properties of 6-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide?
6-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109109946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).