N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]-2-methylpropanamide

C15H17ClN4O — CID 113047657

IUPACN-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]-2-methylpropanamide
SMILESCc1ccc(Cl)cc1Nc1ccc(NC(=O)C(C)C)nn1
InChIInChI=1S/C15H17ClN4O/c1-9(2)15(21)18-14-7-6-13(19-20-14)17-12-8-11(16)5-4-10(12)3/h4-9H,1-3H3,(H,17,19)(H,18,20,21)
InChIKeyVGAGPTCVCKHHJA-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.78
Rot. Bonds4

About N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]-2-methylpropanamide

N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]-2-methylpropanamide (PubChem CID 113047657) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]-2-methylpropanamide
PubChem CID113047657
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC NameN-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]-2-methylpropanamide
SMILESCc1ccc(Cl)cc1Nc1ccc(NC(=O)C(C)C)nn1
InChIInChI=1S/C15H17ClN4O/c1-9(2)15(21)18-14-7-6-13(19-20-14)17-12-8-11(16)5-4-10(12)3/h4-9H,1-3H3,(H,17,19)(H,18,20,21)
InChIKeyVGAGPTCVCKHHJA-UHFFFAOYSA-N
XLogP3.78
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]methanesulfonamide
CID 113047692
1-[4-[6-(5-chloro-2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117291
(2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide
CID 94063637
N-benzyl-6-(5-chloro-2-methylanilino)pyridazine-3-carboxamide
CID 109117923
6-(5-chloro-2-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114369
N-[6-(2,5-dichloroanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113050816
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3-methylbutanamide
CID 113047956
methyl 3-[[6-(5-chloro-2-methylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109128865
6-(5-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
CID 109128870
6-(5-chloro-2-methylanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338945
N-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195653
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113047959

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]-2-methylpropanamide (CID 113047657) is N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]-2-methylpropanamide is Cc1ccc(Cl)cc1Nc1ccc(NC(=O)C(C)C)nn1.
What is the InChIKey of N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]-2-methylpropanamide?
The InChIKey is VGAGPTCVCKHHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-9(2)15(21)18-14-7-6-13(19-20-14)17-12-8-11(16)5-4-10(12)3/h4-9H,1-3H3,(H,17,19)(H,18,20,21).
What are the key properties of N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]-2-methylpropanamide?
N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]-2-methylpropanamide has a molecular weight of 304.78 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 113047657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).