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

C17H22N4O2 — CID 109119978

IUPACN-tert-butyl-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
SMILESCOc1ccccc1CNc1ccc(C(=O)NC(C)(C)C)nn1
InChIInChI=1S/C17H22N4O2/c1-17(2,3)19-16(22)13-9-10-15(21-20-13)18-11-12-7-5-6-8-14(12)23-4/h5-10H,11H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyIAVJTJUYCYIYRM-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.63
Rot. Bonds5

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

N-tert-butyl-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide (PubChem CID 109119978) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-tert-butyl-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
PubChem CID109119978
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-tert-butyl-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
SMILESCOc1ccccc1CNc1ccc(C(=O)NC(C)(C)C)nn1
InChIInChI=1S/C17H22N4O2/c1-17(2,3)19-16(22)13-9-10-15(21-20-13)18-11-12-7-5-6-8-14(12)23-4/h5-10H,11H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyIAVJTJUYCYIYRM-UHFFFAOYSA-N
XLogP2.63
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-6-[(2-methoxyphenyl)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

N-(2,6-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120054
N-tert-butyl-6-[(2-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370215
6-[(2-methoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide
CID 109120056
N-(3-chloro-4-methoxyphenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120022
N-(5-chloro-2-methoxyphenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120023
6-[(2-methoxyphenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide
CID 109120046
2-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041699
1-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3-phenylurea
CID 113041714
N-methyl-6-[(2-phenoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 133329071
N-[(2-methoxyphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109430
N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113041686
6-(butan-2-ylamino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109111374

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of N-tert-butyl-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide (CID 109119978) is N-tert-butyl-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-tert-butyl-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide is COc1ccccc1CNc1ccc(C(=O)NC(C)(C)C)nn1.
What is the InChIKey of N-tert-butyl-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is IAVJTJUYCYIYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-17(2,3)19-16(22)13-9-10-15(21-20-13)18-11-12-7-5-6-8-14(12)23-4/h5-10H,11H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of N-tert-butyl-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide?
N-tert-butyl-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109119978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).