N-butyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide

C17H22N4O — CID 109110791

IUPACN-butyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(NCc2ccccc2C)nn1
InChIInChI=1S/C17H22N4O/c1-3-4-11-18-17(22)15-9-10-16(21-20-15)19-12-14-8-6-5-7-13(14)2/h5-10H,3-4,11-12H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyVSBLEDUDQNPWKR-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.93
Rot. Bonds7

About N-butyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide

N-butyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide (PubChem CID 109110791) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-butyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
PubChem CID109110791
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-butyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(NCc2ccccc2C)nn1
InChIInChI=1S/C17H22N4O/c1-3-4-11-18-17(22)15-9-10-16(21-20-15)19-12-14-8-6-5-7-13(14)2/h5-10H,3-4,11-12H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyVSBLEDUDQNPWKR-UHFFFAOYSA-N
XLogP2.93
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(ethylamino)-N-[2-(2-methylphenyl)ethyl]pyridazine-3-carboxamide
CID 79756979
N-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109110804
N-[2-(4-chlorophenyl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118017
6-[(2-chlorophenyl)methylamino]-N-propylpyridazine-3-carboxamide
CID 109109231
N-butyl-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
CID 109110806
6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid
CID 54944511
N-[2-(1H-indol-3-yl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118016
6-anilino-N-butylpyridazine-3-carboxamide
CID 109110857
6-[(3-methylphenyl)methylamino]-N-pentylpyridazine-3-carboxamide
CID 109118268
6-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide
CID 109115965
6-hydrazinyl-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 62237451
N-(3-chloro-4-methylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118063

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of N-butyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide (CID 109110791) is N-butyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-butyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-butyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide is CCCCNC(=O)c1ccc(NCc2ccccc2C)nn1.
What is the InChIKey of N-butyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is VSBLEDUDQNPWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-4-11-18-17(22)15-9-10-16(21-20-15)19-12-14-8-6-5-7-13(14)2/h5-10H,3-4,11-12H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of N-butyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide?
N-butyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109110791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).