N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide

C15H16N4O3 — CID 27718933

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C15H16N4O3/c1-9-4-3-5-10(2)14(9)17-13(21)8-16-15(22)11-6-7-12(20)19-18-11/h3-7H,8H2,1-2H3,(H,16,22)(H,17,21)(H,19,20)
InChIKeyWEZPOBFWVMYWKC-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.76
Rot. Bonds4

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 27718933) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID27718933
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C15H16N4O3/c1-9-4-3-5-10(2)14(9)17-13(21)8-16-15(22)11-6-7-12(20)19-18-11/h3-7H,8H2,1-2H3,(H,16,22)(H,17,21)(H,19,20)
InChIKeyWEZPOBFWVMYWKC-UHFFFAOYSA-N
XLogP0.76
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 31251595
N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110673460
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2H-benzotriazole-5-carboxamide
CID 24682012
(4-methylphenyl) 2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetate
CID 110670526
6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
CID 108539979
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenylacetamide
CID 7676704
4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
CID 2679820
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 47916250
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(4-hydroxyphenyl)acetamide
CID 78821982
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 17438304
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110742816

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 27718933) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide is Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is WEZPOBFWVMYWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-9-4-3-5-10(2)14(9)17-13(21)8-16-15(22)11-6-7-12(20)19-18-11/h3-7H,8H2,1-2H3,(H,16,22)(H,17,21)(H,19,20).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 27718933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).