N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide

C18H18N6O4 — CID 49214206

IUPACN-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)Cn2cc(NC(=O)c3ccc(=O)n(C)n3)cn2)cc1
InChIInChI=1S/C18H18N6O4/c1-23-17(26)8-7-15(22-23)18(27)21-13-9-19-24(10-13)11-16(25)20-12-3-5-14(28-2)6-4-12/h3-10H,11H2,1-2H3,(H,20,25)(H,21,27)
InChIKeyVKKMRVVIDBLFBU-UHFFFAOYSA-N
MW382.38 g/mol
LogP0.88
Rot. Bonds6

About N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 49214206) has the molecular formula C18H18N6O4 and a molecular weight of 382.38 g/mol. Its IUPAC name is N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID49214206
Molecular FormulaC18H18N6O4
Molecular Weight382.38 g/mol
Exact Mass382.14
IUPAC NameN-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)Cn2cc(NC(=O)c3ccc(=O)n(C)n3)cn2)cc1
InChIInChI=1S/C18H18N6O4/c1-23-17(26)8-7-15(22-23)18(27)21-13-9-19-24(10-13)11-16(25)20-12-3-5-14(28-2)6-4-12/h3-10H,11H2,1-2H3,(H,20,25)(H,21,27)
InChIKeyVKKMRVVIDBLFBU-UHFFFAOYSA-N
XLogP0.88
TPSA120.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N',N'-diethyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]pentanediamide
CID 56521772
2-cyclobutyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 126784378
1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 7914842
2-amino-3-methoxy-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride
CID 120988056
N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-2-naphthalen-2-ylacetamide
CID 49214185
N-[4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 7941086
2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]pyrazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 49214142
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 27443516
1-[2-(diethylamino)ethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 41247965
1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 41247883
1-methyl-6-oxo-N-[4-(triazol-2-yl)phenyl]pyridazine-3-carboxamide
CID 86998524
1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide
CID 26907068

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 49214206) is N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide is COc1ccc(NC(=O)Cn2cc(NC(=O)c3ccc(=O)n(C)n3)cn2)cc1.
What is the InChIKey of N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is VKKMRVVIDBLFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O4/c1-23-17(26)8-7-15(22-23)18(27)21-13-9-19-24(10-13)11-16(25)20-12-3-5-14(28-2)6-4-12/h3-10H,11H2,1-2H3,(H,20,25)(H,21,27).
What are the key properties of N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 382.38 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 49214206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).