N-[6-(2-chloroanilino)pyridazin-3-yl]-2-ethylbutanamide

C16H19ClN4O — CID 113047354

IUPACN-[6-(2-chloroanilino)pyridazin-3-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(Nc2ccccc2Cl)nn1
InChIInChI=1S/C16H19ClN4O/c1-3-11(4-2)16(22)19-15-10-9-14(20-21-15)18-13-8-6-5-7-12(13)17/h5-11H,3-4H2,1-2H3,(H,18,20)(H,19,21,22)
InChIKeyKEPNGQXTQHZTMV-UHFFFAOYSA-N
MW318.81 g/mol
LogP4.25
Rot. Bonds6

About N-[6-(2-chloroanilino)pyridazin-3-yl]-2-ethylbutanamide

N-[6-(2-chloroanilino)pyridazin-3-yl]-2-ethylbutanamide (PubChem CID 113047354) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is N-[6-(2-chloroanilino)pyridazin-3-yl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[6-(2-chloroanilino)pyridazin-3-yl]-2-ethylbutanamide
PubChem CID113047354
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC NameN-[6-(2-chloroanilino)pyridazin-3-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(Nc2ccccc2Cl)nn1
InChIInChI=1S/C16H19ClN4O/c1-3-11(4-2)16(22)19-15-10-9-14(20-21-15)18-13-8-6-5-7-12(13)17/h5-11H,3-4H2,1-2H3,(H,18,20)(H,19,21,22)
InChIKeyKEPNGQXTQHZTMV-UHFFFAOYSA-N
XLogP4.25
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]butanamide
CID 113049816
2-ethyl-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]butanamide
CID 113051469
N-[6-(2-chloroanilino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113047377
2-ethyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]butanamide
CID 113051710
2-ethyl-N-[6-(4-methoxyanilino)pyridazin-3-yl]butanamide
CID 113048284
methyl 4-[[6-(2-ethylbutanoylamino)pyridazin-3-yl]amino]benzoate
CID 113049466
N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]butanamide
CID 113047604
6-(2-chloroanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118178
2-(2-ethylbutanoylamino)benzamide
CID 1214109
N-[6-(2,3-dichloroanilino)pyridazin-3-yl]pentanamide
CID 113050912
N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-2-phenylacetamide
CID 113047624
2-ethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]butanamide
CID 113044086

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chloroanilino)pyridazin-3-yl]-2-ethylbutanamide?
The IUPAC name of N-[6-(2-chloroanilino)pyridazin-3-yl]-2-ethylbutanamide (CID 113047354) is N-[6-(2-chloroanilino)pyridazin-3-yl]-2-ethylbutanamide.
What is the SMILES notation for N-[6-(2-chloroanilino)pyridazin-3-yl]-2-ethylbutanamide?
The canonical SMILES for N-[6-(2-chloroanilino)pyridazin-3-yl]-2-ethylbutanamide is CCC(CC)C(=O)Nc1ccc(Nc2ccccc2Cl)nn1.
What is the InChIKey of N-[6-(2-chloroanilino)pyridazin-3-yl]-2-ethylbutanamide?
The InChIKey is KEPNGQXTQHZTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-3-11(4-2)16(22)19-15-10-9-14(20-21-15)18-13-8-6-5-7-12(13)17/h5-11H,3-4H2,1-2H3,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-(2-chloroanilino)pyridazin-3-yl]-2-ethylbutanamide?
N-[6-(2-chloroanilino)pyridazin-3-yl]-2-ethylbutanamide has a molecular weight of 318.81 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-chloroanilino)pyridazin-3-yl]-2-ethylbutanamide is sourced from PubChem (CID 113047354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).