N-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide

C19H16ClN5O2 — CID 109128669

IUPACN-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(Nc3cccc(Cl)c3)nn2)c1
InChIInChI=1S/C19H16ClN5O2/c1-12(26)21-15-6-3-7-16(11-15)23-19(27)17-8-9-18(25-24-17)22-14-5-2-4-13(20)10-14/h2-11H,1H3,(H,21,26)(H,22,25)(H,23,27)
InChIKeyBTKAJDFOTHLOIV-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.08
Rot. Bonds5

About N-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide

N-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide (PubChem CID 109128669) has the molecular formula C19H16ClN5O2 and a molecular weight of 381.82 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide
PubChem CID109128669
Molecular FormulaC19H16ClN5O2
Molecular Weight381.82 g/mol
Exact Mass381.10
IUPAC NameN-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(Nc3cccc(Cl)c3)nn2)c1
InChIInChI=1S/C19H16ClN5O2/c1-12(26)21-15-6-3-7-16(11-15)23-19(27)17-8-9-18(25-24-17)22-14-5-2-4-13(20)10-14/h2-11H,1H3,(H,21,26)(H,22,25)(H,23,27)
InChIKeyBTKAJDFOTHLOIV-UHFFFAOYSA-N
XLogP4.08
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129848
N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide
CID 109129787
6-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide
CID 109129868
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
CID 109128783
methyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128709
6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129785
N-(3-acetamidophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide
CID 109127909
N-butan-2-yl-6-(3-chloroanilino)pyridazine-3-carboxamide
CID 109111648
N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide
CID 109129918
6-(3-chloroanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109125292
N-(3-acetamidophenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide
CID 109109935

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide (CID 109128669) is N-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide is CC(=O)Nc1cccc(NC(=O)c2ccc(Nc3cccc(Cl)c3)nn2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide?
The InChIKey is BTKAJDFOTHLOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2/c1-12(26)21-15-6-3-7-16(11-15)23-19(27)17-8-9-18(25-24-17)22-14-5-2-4-13(20)10-14/h2-11H,1H3,(H,21,26)(H,22,25)(H,23,27).
What are the key properties of N-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide?
N-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide has a molecular weight of 381.82 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109128669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).