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

C21H29N5O — CID 109110730

IUPAC6-(butylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)nn1
InChIInChI=1S/C21H29N5O/c1-3-4-13-22-20-10-9-19(24-25-20)21(27)23-17-5-7-18(8-6-17)26-14-11-16(2)12-15-26/h5-10,16H,3-4,11-15H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyXJIXZODOXPFNSN-UHFFFAOYSA-N
MW367.50 g/mol
LogP4.18
Rot. Bonds7

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

6-(butylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide (PubChem CID 109110730) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 6-(butylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(butylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
PubChem CID109110730
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name6-(butylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)nn1
InChIInChI=1S/C21H29N5O/c1-3-4-13-22-20-10-9-19(24-25-20)21(27)23-17-5-7-18(8-6-17)26-14-11-16(2)12-15-26/h5-10,16H,3-4,11-15H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyXJIXZODOXPFNSN-UHFFFAOYSA-N
XLogP4.18
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(butylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109110732
6-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109125219
6-(pentylamino)-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109125432
6-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109109946
6-[4-(4-methylpiperidin-1-yl)anilino]-N-propylpyridazine-3-carboxamide
CID 109109356
6-(butylamino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide
CID 109110726
5-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide
CID 109186215
4-N-butyl-2-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2,4-dicarboxamide
CID 109079331
6-(3-methoxypropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109343244
6-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109125996
N-[4-(dimethylamino)phenyl]-6-(pentylamino)pyridazine-3-carboxamide
CID 109125429
6-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)pyrimidine-4-carboxamide
CID 109319017

Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(butylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide (CID 109110730) is 6-(butylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(butylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(butylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide is CCCCNc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)nn1.
What is the InChIKey of 6-(butylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide?
The InChIKey is XJIXZODOXPFNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-3-4-13-22-20-10-9-19(24-25-20)21(27)23-17-5-7-18(8-6-17)26-14-11-16(2)12-15-26/h5-10,16H,3-4,11-15H2,1-2H3,(H,22,25)(H,23,27).
What are the key properties of 6-(butylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide?
6-(butylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109110730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).