N-(3,4-dimethylphenyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridazine-3-carboxamide

C19H19N5O3S — CID 41248087

IUPACN-(3,4-dimethylphenyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridazine-3-carboxamide
SMILESCc1csc(NC(=O)Cn2nc(C(=O)Nc3ccc(C)c(C)c3)ccc2=O)n1
InChIInChI=1S/C19H19N5O3S/c1-11-4-5-14(8-12(11)2)21-18(27)15-6-7-17(26)24(23-15)9-16(25)22-19-20-13(3)10-28-19/h4-8,10H,9H2,1-3H3,(H,21,27)(H,20,22,25)
InChIKeyWMMBUEITFUINNI-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.52
Rot. Bonds5

About N-(3,4-dimethylphenyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridazine-3-carboxamide

N-(3,4-dimethylphenyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridazine-3-carboxamide (PubChem CID 41248087) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridazine-3-carboxamide
PubChem CID41248087
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC NameN-(3,4-dimethylphenyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridazine-3-carboxamide
SMILESCc1csc(NC(=O)Cn2nc(C(=O)Nc3ccc(C)c(C)c3)ccc2=O)n1
InChIInChI=1S/C19H19N5O3S/c1-11-4-5-14(8-12(11)2)21-18(27)15-6-7-17(26)24(23-15)9-16(25)22-19-20-13(3)10-28-19/h4-8,10H,9H2,1-3H3,(H,21,27)(H,20,22,25)
InChIKeyWMMBUEITFUINNI-UHFFFAOYSA-N
XLogP2.52
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethylphenyl)-1-[2-(3-methoxyanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide
CID 41248044
1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 41248150
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 41248050
N-(3,4-dimethylphenyl)-1-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide
CID 41248130
1-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 26845076
ethyl 2-[2-[[2-[3-[(4-methylphenyl)carbamoyl]-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 41247808
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7662459
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7659850
1-(3-anilino-3-oxopropyl)-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066191
N-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 41248002
1-[3-(cyclopropylamino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066171
1-[3-(3,4-difluoroanilino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066181

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridazine-3-carboxamide (CID 41248087) is N-(3,4-dimethylphenyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridazine-3-carboxamide is Cc1csc(NC(=O)Cn2nc(C(=O)Nc3ccc(C)c(C)c3)ccc2=O)n1.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is WMMBUEITFUINNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-11-4-5-14(8-12(11)2)21-18(27)15-6-7-17(26)24(23-15)9-16(25)22-19-20-13(3)10-28-19/h4-8,10H,9H2,1-3H3,(H,21,27)(H,20,22,25).
What are the key properties of N-(3,4-dimethylphenyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridazine-3-carboxamide?
N-(3,4-dimethylphenyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 41248087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).