6-[4-(diethylamino)-2-methylanilino]-N-propylpyridazine-3-carboxamide

C19H27N5O — CID 109109386

IUPAC6-[4-(diethylamino)-2-methylanilino]-N-propylpyridazine-3-carboxamide
SMILESCCCNC(=O)c1ccc(Nc2ccc(N(CC)CC)cc2C)nn1
InChIInChI=1S/C19H27N5O/c1-5-12-20-19(25)17-10-11-18(23-22-17)21-16-9-8-15(13-14(16)4)24(6-2)7-3/h8-11,13H,5-7,12H2,1-4H3,(H,20,25)(H,21,23)
InChIKeyFIALJOMEQHJSNB-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.51
Rot. Bonds8

About 6-[4-(diethylamino)-2-methylanilino]-N-propylpyridazine-3-carboxamide

6-[4-(diethylamino)-2-methylanilino]-N-propylpyridazine-3-carboxamide (PubChem CID 109109386) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-[4-(diethylamino)-2-methylanilino]-N-propylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(diethylamino)-2-methylanilino]-N-propylpyridazine-3-carboxamide
PubChem CID109109386
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name6-[4-(diethylamino)-2-methylanilino]-N-propylpyridazine-3-carboxamide
SMILESCCCNC(=O)c1ccc(Nc2ccc(N(CC)CC)cc2C)nn1
InChIInChI=1S/C19H27N5O/c1-5-12-20-19(25)17-10-11-18(23-22-17)21-16-9-8-15(13-14(16)4)24(6-2)7-3/h8-11,13H,5-7,12H2,1-4H3,(H,20,25)(H,21,23)
InChIKeyFIALJOMEQHJSNB-UHFFFAOYSA-N
XLogP3.51
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109272523
N-[4-(diethylamino)-2-methylphenyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113888
N-[6-[4-(diethylamino)-2-methylanilino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113051011
N-[2-(dimethylamino)ethyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
CID 109115407
6-(2,4-dichloroanilino)-N-propylpyridazine-3-carboxamide
CID 109109379
6-(3,5-dimethylanilino)-N-propylpyridazine-3-carboxamide
CID 109109300
6-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114007
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
N-tert-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109287329
6-[4-(diethylamino)anilino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121704
N-tert-butyl-6-[4-(diethylamino)-2-methylanilino]-2-methylpyrimidine-4-carboxamide
CID 109373885
6-[4-(diethylamino)-2-methylanilino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339796

Frequently Asked Questions

What is the IUPAC name of 6-[4-(diethylamino)-2-methylanilino]-N-propylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-(diethylamino)-2-methylanilino]-N-propylpyridazine-3-carboxamide (CID 109109386) is 6-[4-(diethylamino)-2-methylanilino]-N-propylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(diethylamino)-2-methylanilino]-N-propylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(diethylamino)-2-methylanilino]-N-propylpyridazine-3-carboxamide is CCCNC(=O)c1ccc(Nc2ccc(N(CC)CC)cc2C)nn1.
What is the InChIKey of 6-[4-(diethylamino)-2-methylanilino]-N-propylpyridazine-3-carboxamide?
The InChIKey is FIALJOMEQHJSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-5-12-20-19(25)17-10-11-18(23-22-17)21-16-9-8-15(13-14(16)4)24(6-2)7-3/h8-11,13H,5-7,12H2,1-4H3,(H,20,25)(H,21,23).
What are the key properties of 6-[4-(diethylamino)-2-methylanilino]-N-propylpyridazine-3-carboxamide?
6-[4-(diethylamino)-2-methylanilino]-N-propylpyridazine-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(diethylamino)-2-methylanilino]-N-propylpyridazine-3-carboxamide is sourced from PubChem (CID 109109386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).