N-[6-(4-phenoxyanilino)pyridazin-3-yl]propanamide

C19H18N4O2 — CID 113049889

IUPACN-[6-(4-phenoxyanilino)pyridazin-3-yl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2ccc(Oc3ccccc3)cc2)nn1
InChIInChI=1S/C19H18N4O2/c1-2-19(24)21-18-13-12-17(22-23-18)20-14-8-10-16(11-9-14)25-15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H,20,22)(H,21,23,24)
InChIKeyRBQSZAYUISJWOL-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.36
Rot. Bonds6

About N-[6-(4-phenoxyanilino)pyridazin-3-yl]propanamide

N-[6-(4-phenoxyanilino)pyridazin-3-yl]propanamide (PubChem CID 113049889) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[6-(4-phenoxyanilino)pyridazin-3-yl]propanamide.

Molecular Properties

Compound NameN-[6-(4-phenoxyanilino)pyridazin-3-yl]propanamide
PubChem CID113049889
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[6-(4-phenoxyanilino)pyridazin-3-yl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2ccc(Oc3ccccc3)cc2)nn1
InChIInChI=1S/C19H18N4O2/c1-2-19(24)21-18-13-12-17(22-23-18)20-14-8-10-16(11-9-14)25-15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H,20,22)(H,21,23,24)
InChIKeyRBQSZAYUISJWOL-UHFFFAOYSA-N
XLogP4.36
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-methoxyanilino)pyridazin-3-yl]propanamide
CID 113048275
N-[6-(4-tert-butylanilino)pyridazin-3-yl]propanamide
CID 113047106
1-cyclopropyl-3-[6-(4-phenoxyanilino)pyridazin-3-yl]urea
CID 113049902
N-(5-methyl-1,2-oxazol-3-yl)-6-(4-phenoxyanilino)pyridazine-3-carboxamide
CID 109130085
N-[3-(dimethylamino)propyl]-6-(4-phenoxyanilino)pyridazine-3-carboxamide
CID 109116087
4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-(4-phenoxyphenyl)benzamide
CID 46320741
methyl N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]carbamate
CID 113049917
N-[6-(2-methylanilino)pyridazin-3-yl]propanamide
CID 113045581
N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide
CID 113045480
N-[6-(4-methoxyanilino)-3-pyridinyl]propanamide
CID 113019477
N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]propanamide
CID 113049844
N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113048460

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-phenoxyanilino)pyridazin-3-yl]propanamide?
The IUPAC name of N-[6-(4-phenoxyanilino)pyridazin-3-yl]propanamide (CID 113049889) is N-[6-(4-phenoxyanilino)pyridazin-3-yl]propanamide.
What is the SMILES notation for N-[6-(4-phenoxyanilino)pyridazin-3-yl]propanamide?
The canonical SMILES for N-[6-(4-phenoxyanilino)pyridazin-3-yl]propanamide is CCC(=O)Nc1ccc(Nc2ccc(Oc3ccccc3)cc2)nn1.
What is the InChIKey of N-[6-(4-phenoxyanilino)pyridazin-3-yl]propanamide?
The InChIKey is RBQSZAYUISJWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-2-19(24)21-18-13-12-17(22-23-18)20-14-8-10-16(11-9-14)25-15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H,20,22)(H,21,23,24).
What are the key properties of N-[6-(4-phenoxyanilino)pyridazin-3-yl]propanamide?
N-[6-(4-phenoxyanilino)pyridazin-3-yl]propanamide has a molecular weight of 334.38 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-phenoxyanilino)pyridazin-3-yl]propanamide is sourced from PubChem (CID 113049889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).