6-[4-(diethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide

C21H31N5O — CID 109126267

IUPAC6-[4-(diethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc(Nc2ccc(N(CC)CC)cc2)nn1
InChIInChI=1S/C21H31N5O/c1-5-15-26(16-6-2)21(27)19-13-14-20(24-23-19)22-17-9-11-18(12-10-17)25(7-3)8-4/h9-14H,5-8,15-16H2,1-4H3,(H,22,24)
InChIKeyHCAGAPRDWWZAEW-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.33
Rot. Bonds10

About 6-[4-(diethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide

6-[4-(diethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide (PubChem CID 109126267) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 6-[4-(diethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(diethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide
PubChem CID109126267
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name6-[4-(diethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc(Nc2ccc(N(CC)CC)cc2)nn1
InChIInChI=1S/C21H31N5O/c1-5-15-26(16-6-2)21(27)19-13-14-20(24-23-19)22-17-9-11-18(12-10-17)25(7-3)8-4/h9-14H,5-8,15-16H2,1-4H3,(H,22,24)
InChIKeyHCAGAPRDWWZAEW-UHFFFAOYSA-N
XLogP4.33
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
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

6-[4-(dimethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide
CID 109126266
6-[4-(diethylamino)anilino]-N,N-dipropylpyrimidine-4-carboxamide
CID 109355395
6-(4-acetamidoanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124466
6-(3,4-dimethoxyanilino)-N,N-dipropylpyridazine-3-carboxamide
CID 109126254
6-(4-chloroanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124438
N-cyclopropyl-6-[4-(diethylamino)anilino]pyridazine-3-carboxamide
CID 109110139
6-(ethylamino)-N,N-dipropylpyridazine-3-carboxamide
CID 62165114
6-[4-(diethylamino)anilino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121704
6-(2-ethylanilino)-N,N-dipropylpyridazine-3-carboxamide
CID 109126232
N,N-diethyl-6-[4-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109124462
2-N-[4-(diethylamino)phenyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099835
methyl 3-[[6-(dipropylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109126263

Frequently Asked Questions

What is the IUPAC name of 6-[4-(diethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-(diethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide (CID 109126267) is 6-[4-(diethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(diethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(diethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide is CCCN(CCC)C(=O)c1ccc(Nc2ccc(N(CC)CC)cc2)nn1.
What is the InChIKey of 6-[4-(diethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide?
The InChIKey is HCAGAPRDWWZAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-5-15-26(16-6-2)21(27)19-13-14-20(24-23-19)22-17-9-11-18(12-10-17)25(7-3)8-4/h9-14H,5-8,15-16H2,1-4H3,(H,22,24).
What are the key properties of 6-[4-(diethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide?
6-[4-(diethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 4.33, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(diethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide is sourced from PubChem (CID 109126267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).