4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-4-ylmethyl)butanamide

C21H22N4O2 — CID 16885732

IUPAC4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-4-ylmethyl)butanamide
SMILESCc1ccc(-c2ccc(=O)n(CCCC(=O)NCc3ccncc3)n2)cc1
InChIInChI=1S/C21H22N4O2/c1-16-4-6-18(7-5-16)19-8-9-21(27)25(24-19)14-2-3-20(26)23-15-17-10-12-22-13-11-17/h4-13H,2-3,14-15H2,1H3,(H,23,26)
InChIKeySIQYSECLBOWTAN-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.71
Rot. Bonds7

About 4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-4-ylmethyl)butanamide

4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-4-ylmethyl)butanamide (PubChem CID 16885732) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-4-ylmethyl)butanamide.

Molecular Properties

Compound Name4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-4-ylmethyl)butanamide
PubChem CID16885732
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-4-ylmethyl)butanamide
SMILESCc1ccc(-c2ccc(=O)n(CCCC(=O)NCc3ccncc3)n2)cc1
InChIInChI=1S/C21H22N4O2/c1-16-4-6-18(7-5-16)19-8-9-21(27)25(24-19)14-2-3-20(26)23-15-17-10-12-22-13-11-17/h4-13H,2-3,14-15H2,1H3,(H,23,26)
InChIKeySIQYSECLBOWTAN-UHFFFAOYSA-N
XLogP2.71
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885718
N-butan-2-yl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885644
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-iodophenyl)methyl]butanamide
CID 16885602
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide
CID 16885563
4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide
CID 16885773
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 7659873
N-(3-methyl-1,2-oxazol-5-yl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885784
N-(2,3-dimethylphenyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885730
N-[(4-methoxyphenyl)methyl]-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885202
1-benzyl-3-[2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]ethyl]urea
CID 42109840
4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)butanamide
CID 16885051
3-(6-oxo-3-phenylpyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 51366020

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-4-ylmethyl)butanamide?
The IUPAC name of 4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-4-ylmethyl)butanamide (CID 16885732) is 4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-4-ylmethyl)butanamide.
What is the SMILES notation for 4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-4-ylmethyl)butanamide?
The canonical SMILES for 4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-4-ylmethyl)butanamide is Cc1ccc(-c2ccc(=O)n(CCCC(=O)NCc3ccncc3)n2)cc1.
What is the InChIKey of 4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-4-ylmethyl)butanamide?
The InChIKey is SIQYSECLBOWTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-16-4-6-18(7-5-16)19-8-9-21(27)25(24-19)14-2-3-20(26)23-15-17-10-12-22-13-11-17/h4-13H,2-3,14-15H2,1H3,(H,23,26).
What are the key properties of 4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-4-ylmethyl)butanamide?
4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-4-ylmethyl)butanamide has a molecular weight of 362.43 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-4-ylmethyl)butanamide is sourced from PubChem (CID 16885732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).