N-[6-(4-methoxyanilino)pyridazin-3-yl]-2-methylbenzamide

C19H18N4O2 — CID 113048288

IUPACN-[6-(4-methoxyanilino)pyridazin-3-yl]-2-methylbenzamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3ccccc3C)nn2)cc1
InChIInChI=1S/C19H18N4O2/c1-13-5-3-4-6-16(13)19(24)21-18-12-11-17(22-23-18)20-14-7-9-15(25-2)10-8-14/h3-12H,1-2H3,(H,20,22)(H,21,23,24)
InChIKeyFTLUIBXDSQDHOM-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.79
Rot. Bonds5

About N-[6-(4-methoxyanilino)pyridazin-3-yl]-2-methylbenzamide

N-[6-(4-methoxyanilino)pyridazin-3-yl]-2-methylbenzamide (PubChem CID 113048288) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[6-(4-methoxyanilino)pyridazin-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[6-(4-methoxyanilino)pyridazin-3-yl]-2-methylbenzamide
PubChem CID113048288
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[6-(4-methoxyanilino)pyridazin-3-yl]-2-methylbenzamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3ccccc3C)nn2)cc1
InChIInChI=1S/C19H18N4O2/c1-13-5-3-4-6-16(13)19(24)21-18-12-11-17(22-23-18)20-14-7-9-15(25-2)10-8-14/h3-12H,1-2H3,(H,20,22)(H,21,23,24)
InChIKeyFTLUIBXDSQDHOM-UHFFFAOYSA-N
XLogP3.79
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide
CID 113045480
2,6-dimethoxy-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzamide
CID 113048302
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049288
N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049142
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methoxybenzamide
CID 113047536
N-[6-(4-methoxyanilino)pyridazin-3-yl]propanamide
CID 113048275
N-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 92664875
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide
CID 113049591
1-[6-(4-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113048339
N-(3,5-dimethoxyphenyl)-2-methylbenzamide
CID 9096893
ethyl 2-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129372
N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109129349

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methoxyanilino)pyridazin-3-yl]-2-methylbenzamide?
The IUPAC name of N-[6-(4-methoxyanilino)pyridazin-3-yl]-2-methylbenzamide (CID 113048288) is N-[6-(4-methoxyanilino)pyridazin-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-[6-(4-methoxyanilino)pyridazin-3-yl]-2-methylbenzamide?
The canonical SMILES for N-[6-(4-methoxyanilino)pyridazin-3-yl]-2-methylbenzamide is COc1ccc(Nc2ccc(NC(=O)c3ccccc3C)nn2)cc1.
What is the InChIKey of N-[6-(4-methoxyanilino)pyridazin-3-yl]-2-methylbenzamide?
The InChIKey is FTLUIBXDSQDHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-5-3-4-6-16(13)19(24)21-18-12-11-17(22-23-18)20-14-7-9-15(25-2)10-8-14/h3-12H,1-2H3,(H,20,22)(H,21,23,24).
What are the key properties of N-[6-(4-methoxyanilino)pyridazin-3-yl]-2-methylbenzamide?
N-[6-(4-methoxyanilino)pyridazin-3-yl]-2-methylbenzamide has a molecular weight of 334.38 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methoxyanilino)pyridazin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 113048288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).