N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide

C22H24N4O3 — CID 113043378

IUPACN-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
SMILESCOc1ccc(CNc2ccc(NC(=O)Cc3ccc(C)cc3)nn2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-15-4-6-16(7-5-15)13-22(27)24-21-11-10-20(25-26-21)23-14-17-8-9-18(28-2)19(12-17)29-3/h4-12H,13-14H2,1-3H3,(H,23,25)(H,24,26,27)
InChIKeyYKFYNDPVNJWGAZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.60
Rot. Bonds8

About N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide

N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide (PubChem CID 113043378) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
PubChem CID113043378
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
SMILESCOc1ccc(CNc2ccc(NC(=O)Cc3ccc(C)cc3)nn2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-15-4-6-16(7-5-15)13-22(27)24-21-11-10-20(25-26-21)23-14-17-8-9-18(28-2)19(12-17)29-3/h4-12H,13-14H2,1-3H3,(H,23,25)(H,24,26,27)
InChIKeyYKFYNDPVNJWGAZ-UHFFFAOYSA-N
XLogP3.60
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113048581
2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041016
2-(2-methoxyphenoxy)-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041108
N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-ethylbutanamide
CID 113043351
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113047933
1-cyclopropyl-3-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]urea
CID 113043387
N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]-2-phenylacetamide
CID 113040992
2-(3,4-dimethoxyphenyl)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide
CID 113026619
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859178
N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113014017
6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide
CID 109123429
6-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109372823

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide (CID 113043378) is N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide is COc1ccc(CNc2ccc(NC(=O)Cc3ccc(C)cc3)nn2)cc1OC.
What is the InChIKey of N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
The InChIKey is YKFYNDPVNJWGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-4-6-16(7-5-15)13-22(27)24-21-11-10-20(25-26-21)23-14-17-8-9-18(28-2)19(12-17)29-3/h4-12H,13-14H2,1-3H3,(H,23,25)(H,24,26,27).
What are the key properties of N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide has a molecular weight of 392.46 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 113043378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).