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

C19H27N5O — CID 109126266

IUPAC6-[4-(dimethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc(Nc2ccc(N(C)C)cc2)nn1
InChIInChI=1S/C19H27N5O/c1-5-13-24(14-6-2)19(25)17-11-12-18(22-21-17)20-15-7-9-16(10-8-15)23(3)4/h7-12H,5-6,13-14H2,1-4H3,(H,20,22)
InChIKeyKMZJJZOHCOTWMS-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.55
Rot. Bonds8

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

6-[4-(dimethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide (PubChem CID 109126266) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-[4-(dimethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(dimethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide
PubChem CID109126266
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name6-[4-(dimethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc(Nc2ccc(N(C)C)cc2)nn1
InChIInChI=1S/C19H27N5O/c1-5-13-24(14-6-2)19(25)17-11-12-18(22-21-17)20-15-7-9-16(10-8-15)23(3)4/h7-12H,5-6,13-14H2,1-4H3,(H,20,22)
InChIKeyKMZJJZOHCOTWMS-UHFFFAOYSA-N
XLogP3.55
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.55
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-(diethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide
CID 109126267
6-(3,4-dimethoxyanilino)-N,N-dipropylpyridazine-3-carboxamide
CID 109126254
6-(ethylamino)-N,N-dipropylpyridazine-3-carboxamide
CID 62165114
N-[4-(dimethylamino)phenyl]-6-(4-ethylanilino)pyridazine-3-carboxamide
CID 109127978
6-(4-chloroanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124438
6-(4-acetamidoanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124466
6-(2-ethylanilino)-N,N-dipropylpyridazine-3-carboxamide
CID 109126232
4-[4-(dimethylamino)anilino]-N,N-dipropylpyridine-2-carboxamide
CID 109218362
6-(3-cyanoanilino)-N,N-dipropylpyridazine-3-carboxamide
CID 109126285
methyl 3-[[6-(dipropylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109126263
N,N-diethyl-6-[4-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109124462
6-[4-(dimethylamino)anilino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109127754

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-(dimethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide (CID 109126266) is 6-[4-(dimethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(dimethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(dimethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide is CCCN(CCC)C(=O)c1ccc(Nc2ccc(N(C)C)cc2)nn1.
What is the InChIKey of 6-[4-(dimethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide?
The InChIKey is KMZJJZOHCOTWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-5-13-24(14-6-2)19(25)17-11-12-18(22-21-17)20-15-7-9-16(10-8-15)23(3)4/h7-12H,5-6,13-14H2,1-4H3,(H,20,22).
What are the key properties of 6-[4-(dimethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide?
6-[4-(dimethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide is sourced from PubChem (CID 109126266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).