N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide

C21H22N4O2 — CID 113048581

IUPACN-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1Nc1ccc(NC(=O)Cc2ccc(C)cc2)nn1
InChIInChI=1S/C21H22N4O2/c1-14-4-7-16(8-5-14)13-21(26)23-20-11-10-19(24-25-20)22-17-12-15(2)6-9-18(17)27-3/h4-12H,13H2,1-3H3,(H,22,24)(H,23,25,26)
InChIKeyPRDLAVUURDSMJY-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.03
Rot. Bonds6

About N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide

N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide (PubChem CID 113048581) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
PubChem CID113048581
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1Nc1ccc(NC(=O)Cc2ccc(C)cc2)nn1
InChIInChI=1S/C21H22N4O2/c1-14-4-7-16(8-5-14)13-21(26)23-20-11-10-19(24-25-20)22-17-12-15(2)6-9-18(17)27-3/h4-12H,13H2,1-3H3,(H,22,24)(H,23,25,26)
InChIKeyPRDLAVUURDSMJY-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(2-methylphenyl)acetamide
CID 113048579
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]acetamide
CID 113048531
N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113043378
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113047933
2-(4-chlorophenyl)-N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]acetamide
CID 113048759
N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113048769
2-(3,4-dimethoxyphenyl)-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]acetamide
CID 113046587
2-chloro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide
CID 113048567
2-(3,4-dimethoxyphenyl)-N-[5-(2,5-dimethylanilino)-2-pyridinyl]acetamide
CID 113032044
N-[6-(2-bromoanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113050061
methyl 4-[[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate
CID 113049499
6-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129383

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide (CID 113048581) is N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide is COc1ccc(C)cc1Nc1ccc(NC(=O)Cc2ccc(C)cc2)nn1.
What is the InChIKey of N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
The InChIKey is PRDLAVUURDSMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-4-7-16(8-5-14)13-21(26)23-20-11-10-19(24-25-20)22-17-12-15(2)6-9-18(17)27-3/h4-12H,13H2,1-3H3,(H,22,24)(H,23,25,26).
What are the key properties of N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide has a molecular weight of 362.43 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 113048581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).