N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide

C19H27N5O — CID 109116034

IUPACN-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide
SMILESCCc1cccc(C)c1Nc1ccc(C(=O)NCCCN(C)C)nn1
InChIInChI=1S/C19H27N5O/c1-5-15-9-6-8-14(2)18(15)21-17-11-10-16(22-23-17)19(25)20-12-7-13-24(3)4/h6,8-11H,5,7,12-13H2,1-4H3,(H,20,25)(H,21,23)
InChIKeyRHHMSNIPQMUXOR-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.77
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide

N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide (PubChem CID 109116034) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide
PubChem CID109116034
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide
SMILESCCc1cccc(C)c1Nc1ccc(C(=O)NCCCN(C)C)nn1
InChIInChI=1S/C19H27N5O/c1-5-15-9-6-8-14(2)18(15)21-17-11-10-16(22-23-17)19(25)20-12-7-13-24(3)4/h6,8-11H,5,7,12-13H2,1-4H3,(H,20,25)(H,21,23)
InChIKeyRHHMSNIPQMUXOR-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109344935
6-(2-ethyl-6-methylanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121427
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782
N-[3-(dimethylamino)propyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109116042
N-(4-acetylphenyl)-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide
CID 109128126
N-[2-(dimethylamino)ethyl]-2-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109301317
N-[3-(dimethylamino)propyl]-6-methylpyridazine-3-carboxamide
CID 110705198
6-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide
CID 109115965
1-[4-[6-(2-ethyl-6-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117277
N-[3-(dimethylamino)propyl]-6-(4-phenoxyanilino)pyridazine-3-carboxamide
CID 109116087
N-butyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109110791
N-(2-ethyl-6-methylphenyl)-6-(pentylamino)pyridazine-3-carboxamide
CID 109125388

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide (CID 109116034) is N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide is CCc1cccc(C)c1Nc1ccc(C(=O)NCCCN(C)C)nn1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide?
The InChIKey is RHHMSNIPQMUXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-5-15-9-6-8-14(2)18(15)21-17-11-10-16(22-23-17)19(25)20-12-7-13-24(3)4/h6,8-11H,5,7,12-13H2,1-4H3,(H,20,25)(H,21,23).
What are the key properties of N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide?
N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109116034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).