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

C22H22N4O3 — CID 53066191

IUPAC1-(3-anilino-3-oxopropyl)-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)Nc3ccccc3)n2)cc1C
InChIInChI=1S/C22H22N4O3/c1-15-8-9-18(14-16(15)2)24-22(29)19-10-11-21(28)26(25-19)13-12-20(27)23-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H,24,29)
InChIKeyHTPKXSPNDCSHBG-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.14
Rot. Bonds6

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

1-(3-anilino-3-oxopropyl)-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 53066191) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-(3-anilino-3-oxopropyl)-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(3-anilino-3-oxopropyl)-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID53066191
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name1-(3-anilino-3-oxopropyl)-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)Nc3ccccc3)n2)cc1C
InChIInChI=1S/C22H22N4O3/c1-15-8-9-18(14-16(15)2)24-22(29)19-10-11-21(28)26(25-19)13-12-20(27)23-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H,24,29)
InChIKeyHTPKXSPNDCSHBG-UHFFFAOYSA-N
XLogP3.14
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 53065932
1-(3-anilino-3-oxopropyl)-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066008
1-[3-(3,4-difluoroanilino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066181
1-[3-(cyclopropylamino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066171
N-(3,4-dimethylphenyl)-1-[3-(4-fluoro-2-methylanilino)-3-oxopropyl]-6-oxopyridazine-3-carboxamide
CID 53066184
1-[3-(cycloheptylamino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066145
1-[3-(3,4-difluoroanilino)-3-oxopropyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53065999
N-(3,4-dimethylphenyl)-1-[2-(3-methoxyanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide
CID 41248044
1-[3-(5-chloro-2-methylanilino)-3-oxopropyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53065956
1-[3-(5-chloro-2-methylanilino)-3-oxopropyl]-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066085
N-(3,4-dimethylphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884468
N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(pyridin-2-ylamino)propyl]pyridazine-3-carboxamide
CID 53066130

Frequently Asked Questions

What is the IUPAC name of 1-(3-anilino-3-oxopropyl)-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(3-anilino-3-oxopropyl)-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide (CID 53066191) is 1-(3-anilino-3-oxopropyl)-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(3-anilino-3-oxopropyl)-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(3-anilino-3-oxopropyl)-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)Nc3ccccc3)n2)cc1C.
What is the InChIKey of 1-(3-anilino-3-oxopropyl)-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is HTPKXSPNDCSHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-15-8-9-18(14-16(15)2)24-22(29)19-10-11-21(28)26(25-19)13-12-20(27)23-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H,24,29).
What are the key properties of 1-(3-anilino-3-oxopropyl)-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide?
1-(3-anilino-3-oxopropyl)-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.14, 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-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 53066191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).