6-(4-acetylanilino)-N-propylpyridazine-3-carboxamide

C16H18N4O2 — CID 109109344

IUPAC6-(4-acetylanilino)-N-propylpyridazine-3-carboxamide
SMILESCCCNC(=O)c1ccc(Nc2ccc(C(C)=O)cc2)nn1
InChIInChI=1S/C16H18N4O2/c1-3-10-17-16(22)14-8-9-15(20-19-14)18-13-6-4-12(5-7-13)11(2)21/h4-9H,3,10H2,1-2H3,(H,17,22)(H,18,20)
InChIKeyPBXBPBQAEQIPML-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.56
Rot. Bonds6

About 6-(4-acetylanilino)-N-propylpyridazine-3-carboxamide

6-(4-acetylanilino)-N-propylpyridazine-3-carboxamide (PubChem CID 109109344) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 6-(4-acetylanilino)-N-propylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetylanilino)-N-propylpyridazine-3-carboxamide
PubChem CID109109344
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name6-(4-acetylanilino)-N-propylpyridazine-3-carboxamide
SMILESCCCNC(=O)c1ccc(Nc2ccc(C(C)=O)cc2)nn1
InChIInChI=1S/C16H18N4O2/c1-3-10-17-16(22)14-8-9-15(20-19-14)18-13-6-4-12(5-7-13)11(2)21/h4-9H,3,10H2,1-2H3,(H,17,22)(H,18,20)
InChIKeyPBXBPBQAEQIPML-UHFFFAOYSA-N
XLogP2.56
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-ethoxyanilino)-N-propylpyridazine-3-carboxamide
CID 109109333
6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129827
6-(3,5-dimethylanilino)-N-propylpyridazine-3-carboxamide
CID 109109300
6-(4-acetylanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118200
6-(4-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridazine-3-carboxamide
CID 109113689
6-anilino-N-butylpyridazine-3-carboxamide
CID 109110857
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
6-(1,3-benzodioxol-5-ylamino)-N-propylpyridazine-3-carboxamide
CID 109109368
6-[4-(4-methylpiperidin-1-yl)anilino]-N-propylpyridazine-3-carboxamide
CID 109109356
6-(4-acetylanilino)-N-(4-tert-butylphenyl)pyridazine-3-carboxamide
CID 109128335
N-[6-(4-acetylanilino)pyridazin-3-yl]butanamide
CID 113049122
N-butyl-6-(4-ethoxyanilino)pyridazine-3-carboxamide
CID 109110899

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylanilino)-N-propylpyridazine-3-carboxamide?
The IUPAC name of 6-(4-acetylanilino)-N-propylpyridazine-3-carboxamide (CID 109109344) is 6-(4-acetylanilino)-N-propylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-acetylanilino)-N-propylpyridazine-3-carboxamide?
The canonical SMILES for 6-(4-acetylanilino)-N-propylpyridazine-3-carboxamide is CCCNC(=O)c1ccc(Nc2ccc(C(C)=O)cc2)nn1.
What is the InChIKey of 6-(4-acetylanilino)-N-propylpyridazine-3-carboxamide?
The InChIKey is PBXBPBQAEQIPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-3-10-17-16(22)14-8-9-15(20-19-14)18-13-6-4-12(5-7-13)11(2)21/h4-9H,3,10H2,1-2H3,(H,17,22)(H,18,20).
What are the key properties of 6-(4-acetylanilino)-N-propylpyridazine-3-carboxamide?
6-(4-acetylanilino)-N-propylpyridazine-3-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylanilino)-N-propylpyridazine-3-carboxamide is sourced from PubChem (CID 109109344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).