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

C16H20N4O2 — CID 109109333

IUPAC6-(4-ethoxyanilino)-N-propylpyridazine-3-carboxamide
SMILESCCCNC(=O)c1ccc(Nc2ccc(OCC)cc2)nn1
InChIInChI=1S/C16H20N4O2/c1-3-11-17-16(21)14-9-10-15(20-19-14)18-12-5-7-13(8-6-12)22-4-2/h5-10H,3-4,11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyZCLQVTHLWGXMHC-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.76
Rot. Bonds7

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

6-(4-ethoxyanilino)-N-propylpyridazine-3-carboxamide (PubChem CID 109109333) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 6-(4-ethoxyanilino)-N-propylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-ethoxyanilino)-N-propylpyridazine-3-carboxamide
PubChem CID109109333
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name6-(4-ethoxyanilino)-N-propylpyridazine-3-carboxamide
SMILESCCCNC(=O)c1ccc(Nc2ccc(OCC)cc2)nn1
InChIInChI=1S/C16H20N4O2/c1-3-11-17-16(21)14-9-10-15(20-19-14)18-12-5-7-13(8-6-12)22-4-2/h5-10H,3-4,11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyZCLQVTHLWGXMHC-UHFFFAOYSA-N
XLogP2.76
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-6-(4-ethoxyanilino)pyridazine-3-carboxamide
CID 109110899
6-(4-ethoxyanilino)-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118657
6-(4-acetylanilino)-N-propylpyridazine-3-carboxamide
CID 109109344
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129382
6-(4-ethoxyanilino)-N-(2-fluorophenyl)pyridazine-3-carboxamide
CID 109128416
2-(4-ethoxyanilino)-N-propyl-1,3-thiazole-4-carboxamide
CID 16954831
6-(3,5-dimethylanilino)-N-propylpyridazine-3-carboxamide
CID 109109300
6-(4-ethoxyanilino)-N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 109129289
N-butyl-6-(4-cyanoanilino)pyridazine-3-carboxamide
CID 109110955
6-anilino-N-butylpyridazine-3-carboxamide
CID 109110857
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
2-(4-ethoxyanilino)-N-propylpyrimidine-5-carboxamide
CID 109246599

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyanilino)-N-propylpyridazine-3-carboxamide?
The IUPAC name of 6-(4-ethoxyanilino)-N-propylpyridazine-3-carboxamide (CID 109109333) is 6-(4-ethoxyanilino)-N-propylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-ethoxyanilino)-N-propylpyridazine-3-carboxamide?
The canonical SMILES for 6-(4-ethoxyanilino)-N-propylpyridazine-3-carboxamide is CCCNC(=O)c1ccc(Nc2ccc(OCC)cc2)nn1.
What is the InChIKey of 6-(4-ethoxyanilino)-N-propylpyridazine-3-carboxamide?
The InChIKey is ZCLQVTHLWGXMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-11-17-16(21)14-9-10-15(20-19-14)18-12-5-7-13(8-6-12)22-4-2/h5-10H,3-4,11H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 6-(4-ethoxyanilino)-N-propylpyridazine-3-carboxamide?
6-(4-ethoxyanilino)-N-propylpyridazine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyanilino)-N-propylpyridazine-3-carboxamide is sourced from PubChem (CID 109109333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).