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

C14H16N4O2 — CID 113048275

IUPACN-[6-(4-methoxyanilino)pyridazin-3-yl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2ccc(OC)cc2)nn1
InChIInChI=1S/C14H16N4O2/c1-3-14(19)16-13-9-8-12(17-18-13)15-10-4-6-11(20-2)7-5-10/h4-9H,3H2,1-2H3,(H,15,17)(H,16,18,19)
InChIKeyLRRYBHRVPQWNMD-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.58
Rot. Bonds5

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

N-[6-(4-methoxyanilino)pyridazin-3-yl]propanamide (PubChem CID 113048275) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[6-(4-methoxyanilino)pyridazin-3-yl]propanamide.

Molecular Properties

Compound NameN-[6-(4-methoxyanilino)pyridazin-3-yl]propanamide
PubChem CID113048275
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[6-(4-methoxyanilino)pyridazin-3-yl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2ccc(OC)cc2)nn1
InChIInChI=1S/C14H16N4O2/c1-3-14(19)16-13-9-8-12(17-18-13)15-10-4-6-11(20-2)7-5-10/h4-9H,3H2,1-2H3,(H,15,17)(H,16,18,19)
InChIKeyLRRYBHRVPQWNMD-UHFFFAOYSA-N
XLogP2.58
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-methoxyanilino)-3-pyridinyl]propanamide
CID 113019477
N-[6-(4-phenoxyanilino)pyridazin-3-yl]propanamide
CID 113049889
2-ethyl-N-[6-(4-methoxyanilino)pyridazin-3-yl]butanamide
CID 113048284
1-[6-(4-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113048339
N-[6-(4-tert-butylanilino)pyridazin-3-yl]propanamide
CID 113047106
N-[6-(4-acetylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113049153
2-(4-methoxyphenyl)-N-[6-(4-propan-2-ylanilino)pyridazin-3-yl]acetamide
CID 113046976
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049288
2,6-dimethoxy-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzamide
CID 113048302
N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049142
N-[6-(4-methoxyanilino)pyridazin-3-yl]-2-methylbenzamide
CID 113048288
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129382

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methoxyanilino)pyridazin-3-yl]propanamide?
The IUPAC name of N-[6-(4-methoxyanilino)pyridazin-3-yl]propanamide (CID 113048275) is N-[6-(4-methoxyanilino)pyridazin-3-yl]propanamide.
What is the SMILES notation for N-[6-(4-methoxyanilino)pyridazin-3-yl]propanamide?
The canonical SMILES for N-[6-(4-methoxyanilino)pyridazin-3-yl]propanamide is CCC(=O)Nc1ccc(Nc2ccc(OC)cc2)nn1.
What is the InChIKey of N-[6-(4-methoxyanilino)pyridazin-3-yl]propanamide?
The InChIKey is LRRYBHRVPQWNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-3-14(19)16-13-9-8-12(17-18-13)15-10-4-6-11(20-2)7-5-10/h4-9H,3H2,1-2H3,(H,15,17)(H,16,18,19).
What are the key properties of N-[6-(4-methoxyanilino)pyridazin-3-yl]propanamide?
N-[6-(4-methoxyanilino)pyridazin-3-yl]propanamide has a molecular weight of 272.31 g/mol, XLogP of 2.58, 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]propanamide is sourced from PubChem (CID 113048275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).