N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]butanamide

C15H17ClN4O — CID 113047760

IUPACN-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2ccc(C)c(Cl)c2)nn1
InChIInChI=1S/C15H17ClN4O/c1-3-4-15(21)18-14-8-7-13(19-20-14)17-11-6-5-10(2)12(16)9-11/h5-9H,3-4H2,1-2H3,(H,17,19)(H,18,20,21)
InChIKeyMPTNOVGVYLSKCX-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.92
Rot. Bonds5

About N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]butanamide

N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]butanamide (PubChem CID 113047760) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]butanamide
PubChem CID113047760
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC NameN-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2ccc(C)c(Cl)c2)nn1
InChIInChI=1S/C15H17ClN4O/c1-3-4-15(21)18-14-8-7-13(19-20-14)17-11-6-5-10(2)12(16)9-11/h5-9H,3-4H2,1-2H3,(H,17,19)(H,18,20,21)
InChIKeyMPTNOVGVYLSKCX-UHFFFAOYSA-N
XLogP3.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]pentanamide
CID 113047763
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]butanamide
CID 113033607
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113047782
N-[6-(4-acetamidoanilino)pyridazin-3-yl]butanamide
CID 113049268
6-(3-chloro-4-methylanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124442
N-[6-(2,5-dimethylanilino)pyridazin-3-yl]butanamide
CID 113046269
N-[6-(4-acetylanilino)pyridazin-3-yl]butanamide
CID 113049122
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]butanamide
CID 47205683
N-[4-(3,4-dichloroanilino)phenyl]butanamide
CID 112989592
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]butanamide
CID 113050204
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047768
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]furan-2-carboxamide
CID 113047767

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]butanamide?
The IUPAC name of N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]butanamide (CID 113047760) is N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]butanamide.
What is the SMILES notation for N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]butanamide?
The canonical SMILES for N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]butanamide is CCCC(=O)Nc1ccc(Nc2ccc(C)c(Cl)c2)nn1.
What is the InChIKey of N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]butanamide?
The InChIKey is MPTNOVGVYLSKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-3-4-15(21)18-14-8-7-13(19-20-14)17-11-6-5-10(2)12(16)9-11/h5-9H,3-4H2,1-2H3,(H,17,19)(H,18,20,21).
What are the key properties of N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]butanamide?
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]butanamide has a molecular weight of 304.78 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]butanamide is sourced from PubChem (CID 113047760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).