6-(3-chloro-2-methylanilino)-N,N-diethylpyridazine-3-carboxamide

C16H19ClN4O — CID 109124439

IUPAC6-(3-chloro-2-methylanilino)-N,N-diethylpyridazine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2cccc(Cl)c2C)nn1
InChIInChI=1S/C16H19ClN4O/c1-4-21(5-2)16(22)14-9-10-15(20-19-14)18-13-8-6-7-12(17)11(13)3/h6-10H,4-5H2,1-3H3,(H,18,20)
InChIKeyJRENLRVPJNTDEJ-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.66
Rot. Bonds5

About 6-(3-chloro-2-methylanilino)-N,N-diethylpyridazine-3-carboxamide

6-(3-chloro-2-methylanilino)-N,N-diethylpyridazine-3-carboxamide (PubChem CID 109124439) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 6-(3-chloro-2-methylanilino)-N,N-diethylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-2-methylanilino)-N,N-diethylpyridazine-3-carboxamide
PubChem CID109124439
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name6-(3-chloro-2-methylanilino)-N,N-diethylpyridazine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2cccc(Cl)c2C)nn1
InChIInChI=1S/C16H19ClN4O/c1-4-21(5-2)16(22)14-9-10-15(20-19-14)18-13-8-6-7-12(17)11(13)3/h6-10H,4-5H2,1-3H3,(H,18,20)
InChIKeyJRENLRVPJNTDEJ-UHFFFAOYSA-N
XLogP3.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109124434
N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]butanamide
CID 113047604
2-N-(3-chloro-2-methylphenyl)-6-N,6-N-diethylpyridine-2,6-dicarboxamide
CID 109098998
6-(2-ethoxyanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124452
6-(3-chloro-4-methylanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124442
N,N-diethyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109124460
6-(4-chloroanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124438
6-(3-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119356
5-chloro-1-(3-chloro-2-methylanilino)-N,N-diethylisoquinoline-4-carboxamide
CID 71203941
N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-2-phenylacetamide
CID 113047624
6-(3-bromoanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124484
5-(2,3-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286840

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-methylanilino)-N,N-diethylpyridazine-3-carboxamide?
The IUPAC name of 6-(3-chloro-2-methylanilino)-N,N-diethylpyridazine-3-carboxamide (CID 109124439) is 6-(3-chloro-2-methylanilino)-N,N-diethylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-chloro-2-methylanilino)-N,N-diethylpyridazine-3-carboxamide?
The canonical SMILES for 6-(3-chloro-2-methylanilino)-N,N-diethylpyridazine-3-carboxamide is CCN(CC)C(=O)c1ccc(Nc2cccc(Cl)c2C)nn1.
What is the InChIKey of 6-(3-chloro-2-methylanilino)-N,N-diethylpyridazine-3-carboxamide?
The InChIKey is JRENLRVPJNTDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-4-21(5-2)16(22)14-9-10-15(20-19-14)18-13-8-6-7-12(17)11(13)3/h6-10H,4-5H2,1-3H3,(H,18,20).
What are the key properties of 6-(3-chloro-2-methylanilino)-N,N-diethylpyridazine-3-carboxamide?
6-(3-chloro-2-methylanilino)-N,N-diethylpyridazine-3-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-methylanilino)-N,N-diethylpyridazine-3-carboxamide is sourced from PubChem (CID 109124439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).