2-(4-chlorophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide

C15H17ClN4O — CID 113037948

IUPAC2-(4-chlorophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide
SMILESCC(C)Nc1ccc(NC(=O)Cc2ccc(Cl)cc2)nn1
InChIInChI=1S/C15H17ClN4O/c1-10(2)17-13-7-8-14(20-19-13)18-15(21)9-11-3-5-12(16)6-4-11/h3-8,10H,9H2,1-2H3,(H,17,19)(H,18,20,21)
InChIKeyJSBLMMQNLGPNLP-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.13
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide

2-(4-chlorophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide (PubChem CID 113037948) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide
PubChem CID113037948
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name2-(4-chlorophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide
SMILESCC(C)Nc1ccc(NC(=O)Cc2ccc(Cl)cc2)nn1
InChIInChI=1S/C15H17ClN4O/c1-10(2)17-13-7-8-14(20-19-13)18-15(21)9-11-3-5-12(16)6-4-11/h3-8,10H,9H2,1-2H3,(H,17,19)(H,18,20,21)
InChIKeyJSBLMMQNLGPNLP-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide
CID 113037981
2-(4-chlorophenyl)-N-[6-(diethylamino)pyridazin-3-yl]acetamide
CID 113043990
2-(4-chlorophenyl)-N-[6-(cyclopropylamino)pyridazin-3-yl]acetamide
CID 113038076
2-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide
CID 113039920
2-(4-chlorophenyl)-N-[6-(dipropylamino)pyridazin-3-yl]acetamide
CID 113045158
N-[4-[(4-chlorophenyl)methoxy]phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109575
2-(4-methylphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041210
2-(4-chlorophenyl)-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]acetamide
CID 56919650
N-(5-amino-6-methyl-2-pyridinyl)-2-(4-chlorophenyl)acetamide
CID 82330943
2-(4-chlorophenyl)-N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]acetamide
CID 113048759
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60638078
2-(4-chlorophenyl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide
CID 115884674

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide (CID 113037948) is 2-(4-chlorophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide is CC(C)Nc1ccc(NC(=O)Cc2ccc(Cl)cc2)nn1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide?
The InChIKey is JSBLMMQNLGPNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-10(2)17-13-7-8-14(20-19-13)18-15(21)9-11-3-5-12(16)6-4-11/h3-8,10H,9H2,1-2H3,(H,17,19)(H,18,20,21).
What are the key properties of 2-(4-chlorophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide?
2-(4-chlorophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide has a molecular weight of 304.78 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113037948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).