1-(3-anilino-3-oxopropyl)-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide

C21H20N4O3 — CID 53066008

IUPAC1-(3-anilino-3-oxopropyl)-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C21H20N4O3/c1-15-7-9-17(10-8-15)23-21(28)18-11-12-20(27)25(24-18)14-13-19(26)22-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,22,26)(H,23,28)
InChIKeyYPORTYZJYKQUQS-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.83
Rot. Bonds6

About 1-(3-anilino-3-oxopropyl)-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide

1-(3-anilino-3-oxopropyl)-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 53066008) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1-(3-anilino-3-oxopropyl)-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(3-anilino-3-oxopropyl)-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID53066008
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name1-(3-anilino-3-oxopropyl)-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C21H20N4O3/c1-15-7-9-17(10-8-15)23-21(28)18-11-12-20(27)25(24-18)14-13-19(26)22-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,22,26)(H,23,28)
InChIKeyYPORTYZJYKQUQS-UHFFFAOYSA-N
XLogP2.83
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-anilino-3-oxopropyl)-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066191
1-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 53065932
1-[3-(3,4-difluoroanilino)-3-oxopropyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53065999
N-(4-methylphenyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 91061296
1-[3-(2-chloro-4-methylanilino)-3-oxopropyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53065987
1-[3-(5-chloro-2-methylanilino)-3-oxopropyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53065956
1-[2-(4-chloroanilino)-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 41247819
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 26845085
1-butyl-6-oxo-N-[4-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55527707
N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(pyridin-2-ylamino)propyl]pyridazine-3-carboxamide
CID 53066130
1-[3-(cyclopentylamino)-3-oxopropyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 53065911
6-oxo-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylpyridazine-3-carboxamide
CID 53065920

Frequently Asked Questions

What is the IUPAC name of 1-(3-anilino-3-oxopropyl)-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(3-anilino-3-oxopropyl)-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide (CID 53066008) is 1-(3-anilino-3-oxopropyl)-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(3-anilino-3-oxopropyl)-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(3-anilino-3-oxopropyl)-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)Nc3ccccc3)n2)cc1.
What is the InChIKey of 1-(3-anilino-3-oxopropyl)-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is YPORTYZJYKQUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-15-7-9-17(10-8-15)23-21(28)18-11-12-20(27)25(24-18)14-13-19(26)22-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,22,26)(H,23,28).
What are the key properties of 1-(3-anilino-3-oxopropyl)-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide?
1-(3-anilino-3-oxopropyl)-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-anilino-3-oxopropyl)-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 53066008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).