N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzamide

C21H22N4O2 — CID 113041686

IUPACN-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzamide
SMILESCOc1ccccc1CNc1ccc(NC(=O)c2ccc(C)c(C)c2)nn1
InChIInChI=1S/C21H22N4O2/c1-14-8-9-16(12-15(14)2)21(26)23-20-11-10-19(24-25-20)22-13-17-6-4-5-7-18(17)27-3/h4-12H,13H2,1-3H3,(H,22,24)(H,23,25,26)
InChIKeySIWPXKDPQXRTGS-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.97
Rot. Bonds6

About N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzamide

N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzamide (PubChem CID 113041686) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzamide
PubChem CID113041686
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzamide
SMILESCOc1ccccc1CNc1ccc(NC(=O)c2ccc(C)c(C)c2)nn1
InChIInChI=1S/C21H22N4O2/c1-14-8-9-16(12-15(14)2)21(26)23-20-11-10-19(24-25-20)22-13-17-6-4-5-7-18(17)27-3/h4-12H,13H2,1-3H3,(H,22,24)(H,23,25,26)
InChIKeySIWPXKDPQXRTGS-UHFFFAOYSA-N
XLogP3.97
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041700
3-fluoro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041679
2-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041699
3-methoxy-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113040884
1-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3-phenylurea
CID 113041714
6-[(2-methoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide
CID 109120056
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113040656
N-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-(2-methylphenyl)acetamide
CID 113042675
N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113042585
N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113038336
3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide
CID 113027357
N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 9246288

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzamide?
The IUPAC name of N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzamide (CID 113041686) is N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzamide is COc1ccccc1CNc1ccc(NC(=O)c2ccc(C)c(C)c2)nn1.
What is the InChIKey of N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzamide?
The InChIKey is SIWPXKDPQXRTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-8-9-16(12-15(14)2)21(26)23-20-11-10-19(24-25-20)22-13-17-6-4-5-7-18(17)27-3/h4-12H,13H2,1-3H3,(H,22,24)(H,23,25,26).
What are the key properties of N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzamide?
N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzamide has a molecular weight of 362.43 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzamide is sourced from PubChem (CID 113041686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).