1-(2,5-dimethylphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propyl-4,5-dihydropyridazine-3-carboxamide

C25H30N4O3 — CID 24980012

IUPAC1-(2,5-dimethylphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propyl-4,5-dihydropyridazine-3-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1
InChIInChI=1S/C25H30N4O3/c1-5-14-28(16-23(30)26-20-9-7-6-8-18(20)3)25(32)21-12-13-24(31)29(27-21)22-15-17(2)10-11-19(22)4/h6-11,15H,5,12-14,16H2,1-4H3,(H,26,30)
InChIKeyAOQMWBCQPLVWRR-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.97
Rot. Bonds7

About 1-(2,5-dimethylphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propyl-4,5-dihydropyridazine-3-carboxamide

1-(2,5-dimethylphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 24980012) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID24980012
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name1-(2,5-dimethylphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propyl-4,5-dihydropyridazine-3-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1
InChIInChI=1S/C25H30N4O3/c1-5-14-28(16-23(30)26-20-9-7-6-8-18(20)3)25(32)21-12-13-24(31)29(27-21)22-15-17(2)10-11-19(22)4/h6-11,15H,5,12-14,16H2,1-4H3,(H,26,30)
InChIKeyAOQMWBCQPLVWRR-UHFFFAOYSA-N
XLogP3.97
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-4,5-dihydropyridazine-3-carboxamide
CID 112790033
2-[[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-propylamino]acetic acid
CID 119204697
2-[[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119188801
2-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-propylamino]acetic acid
CID 119204717
2-cyano-3-[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazin-3-yl]-3-oxo-N-propylpropanamide
CID 60501082
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indene-5-carboxamide
CID 38685975
3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 38684187
1-benzyl-6-oxo-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-4,5-dihydropyridazine-3-carboxamide
CID 55894256
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 9409703
1-(2,5-dimethylphenyl)-6-oxo-N-[3-(pyrimidin-2-ylamino)propyl]-4,5-dihydropyridazine-3-carboxamide
CID 60518761
N-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 34253950
1,3-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide
CID 37275470

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propyl-4,5-dihydropyridazine-3-carboxamide (CID 24980012) is 1-(2,5-dimethylphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propyl-4,5-dihydropyridazine-3-carboxamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is AOQMWBCQPLVWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-5-14-28(16-23(30)26-20-9-7-6-8-18(20)3)25(32)21-12-13-24(31)29(27-21)22-15-17(2)10-11-19(22)4/h6-11,15H,5,12-14,16H2,1-4H3,(H,26,30).
What are the key properties of 1-(2,5-dimethylphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propyl-4,5-dihydropyridazine-3-carboxamide?
1-(2,5-dimethylphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 24980012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).