N-butan-2-yl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide

C15H16Cl2N4O — CID 109111709

IUPACN-butan-2-yl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide
SMILESCCC(C)NC(=O)c1ccc(Nc2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C15H16Cl2N4O/c1-3-9(2)18-15(22)13-6-7-14(21-20-13)19-10-4-5-11(16)12(17)8-10/h4-9H,3H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyUASUVHBUJJZNDD-UHFFFAOYSA-N
MW339.23 g/mol
LogP4.06
Rot. Bonds5

About N-butan-2-yl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide

N-butan-2-yl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide (PubChem CID 109111709) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is N-butan-2-yl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide
PubChem CID109111709
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC NameN-butan-2-yl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide
SMILESCCC(C)NC(=O)c1ccc(Nc2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C15H16Cl2N4O/c1-3-9(2)18-15(22)13-6-7-14(21-20-13)19-10-4-5-11(16)12(17)8-10/h4-9H,3H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyUASUVHBUJJZNDD-UHFFFAOYSA-N
XLogP4.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-6-(3-chloroanilino)pyridazine-3-carboxamide
CID 109111648
N-butan-2-yl-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109111624
6-(3-acetylanilino)-N-butan-2-ylpyridazine-3-carboxamide
CID 109111674
methyl 3-[[6-(butan-2-ylcarbamoyl)pyridazin-3-yl]amino]-4-chlorobenzoate
CID 109111681
N-tert-butyl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide
CID 109124934
N-butan-2-yl-6-(4-phenylmethoxyanilino)pyridazine-3-carboxamide
CID 109111692
N-butan-2-yl-6-[(2-chlorophenyl)methylamino]pyridazine-3-carboxamide
CID 109111563
N-(4-acetamidophenyl)-6-(butan-2-ylamino)pyridazine-3-carboxamide
CID 109111487
6-(3-chloro-4-methylanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124442
4-N-butan-2-yl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109080107
N-benzyl-6-(3-chloro-4-methylanilino)pyridazine-3-carboxamide
CID 109117925
N-butyl-6-(3-chloro-4-fluoroanilino)pyridazine-3-carboxamide
CID 109110889

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide?
The IUPAC name of N-butan-2-yl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide (CID 109111709) is N-butan-2-yl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide is CCC(C)NC(=O)c1ccc(Nc2ccc(Cl)c(Cl)c2)nn1.
What is the InChIKey of N-butan-2-yl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide?
The InChIKey is UASUVHBUJJZNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O/c1-3-9(2)18-15(22)13-6-7-14(21-20-13)19-10-4-5-11(16)12(17)8-10/h4-9H,3H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of N-butan-2-yl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide?
N-butan-2-yl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109111709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).