N-[3-(diethylamino)propyl]-6-(ethylamino)pyridazine-3-carboxamide

C14H25N5O — CID 62166382

IUPACN-[3-(diethylamino)propyl]-6-(ethylamino)pyridazine-3-carboxamide
SMILESCCNc1ccc(C(=O)NCCCN(CC)CC)nn1
InChIInChI=1S/C14H25N5O/c1-4-15-13-9-8-12(17-18-13)14(20)16-10-7-11-19(5-2)6-3/h8-9H,4-7,10-11H2,1-3H3,(H,15,18)(H,16,20)
InChIKeyFMGGESKUWZICQF-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.37
Rot. Bonds9

About N-[3-(diethylamino)propyl]-6-(ethylamino)pyridazine-3-carboxamide

N-[3-(diethylamino)propyl]-6-(ethylamino)pyridazine-3-carboxamide (PubChem CID 62166382) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-6-(ethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-6-(ethylamino)pyridazine-3-carboxamide
PubChem CID62166382
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-[3-(diethylamino)propyl]-6-(ethylamino)pyridazine-3-carboxamide
SMILESCCNc1ccc(C(=O)NCCCN(CC)CC)nn1
InChIInChI=1S/C14H25N5O/c1-4-15-13-9-8-12(17-18-13)14(20)16-10-7-11-19(5-2)6-3/h8-9H,4-7,10-11H2,1-3H3,(H,15,18)(H,16,20)
InChIKeyFMGGESKUWZICQF-UHFFFAOYSA-N
XLogP1.37
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.37
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-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782
N-[3-(diethylamino)propyl]-6-(ethylamino)pyridine-3-carboxamide
CID 62165858
6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridazine-3-carboxamide
CID 106342396
methyl 6-[3-(diethylamino)propylamino]pyridazine-3-carboxylate
CID 60792604
N-[2-[cyclopropyl(methyl)amino]ethyl]-6-(ethylamino)pyridazine-3-carboxamide
CID 55142201
6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridazine-3-carboxamide
CID 62173719
6-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridazine-3-carboxamide
CID 113450833
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109110589
6-(ethylamino)-N-[2-(ethylamino)-2-oxoethyl]pyridazine-3-carboxamide
CID 55047399
N-[2-(dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115146
6-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 62186107

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-6-(ethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-6-(ethylamino)pyridazine-3-carboxamide (CID 62166382) is N-[3-(diethylamino)propyl]-6-(ethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-6-(ethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-6-(ethylamino)pyridazine-3-carboxamide is CCNc1ccc(C(=O)NCCCN(CC)CC)nn1.
What is the InChIKey of N-[3-(diethylamino)propyl]-6-(ethylamino)pyridazine-3-carboxamide?
The InChIKey is FMGGESKUWZICQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-15-13-9-8-12(17-18-13)14(20)16-10-7-11-19(5-2)6-3/h8-9H,4-7,10-11H2,1-3H3,(H,15,18)(H,16,20).
What are the key properties of N-[3-(diethylamino)propyl]-6-(ethylamino)pyridazine-3-carboxamide?
N-[3-(diethylamino)propyl]-6-(ethylamino)pyridazine-3-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 1.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-6-(ethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 62166382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).