N-ethyl-6-[(4-ethylphenyl)methylamino]pyridazine-3-carboxamide

C16H20N4O — CID 106898486

IUPACN-ethyl-6-[(4-ethylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(NCc2ccc(CC)cc2)nn1
InChIInChI=1S/C16H20N4O/c1-3-12-5-7-13(8-6-12)11-18-15-10-9-14(19-20-15)16(21)17-4-2/h5-10H,3-4,11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyQFNXLEPDCKRXEE-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.40
Rot. Bonds6

About N-ethyl-6-[(4-ethylphenyl)methylamino]pyridazine-3-carboxamide

N-ethyl-6-[(4-ethylphenyl)methylamino]pyridazine-3-carboxamide (PubChem CID 106898486) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-ethyl-6-[(4-ethylphenyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[(4-ethylphenyl)methylamino]pyridazine-3-carboxamide
PubChem CID106898486
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-ethyl-6-[(4-ethylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(NCc2ccc(CC)cc2)nn1
InChIInChI=1S/C16H20N4O/c1-3-12-5-7-13(8-6-12)11-18-15-10-9-14(19-20-15)16(21)17-4-2/h5-10H,3-4,11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyQFNXLEPDCKRXEE-UHFFFAOYSA-N
XLogP2.40
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-hydroxyphenyl)methylamino]-N-methylpyridazine-3-carboxamide
CID 115669027
N-butyl-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
CID 109110806
6-(ethylamino)-N-[2-(ethylamino)-2-oxoethyl]pyridazine-3-carboxamide
CID 55047399
2-ethyl-2-[[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]methyl]butanoic acid
CID 115430062
6-[(4-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109119412
6-(4-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120300
N-ethyl-6-[(1-propylcyclopropyl)methylamino]pyridazine-3-carboxamide
CID 103761722
N-[2-(dimethylamino)ethyl]-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109115345
N-(3-methylbutyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
CID 109121261
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
N-[(4-fluorophenyl)methyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118231
6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109119413

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(4-ethylphenyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of N-ethyl-6-[(4-ethylphenyl)methylamino]pyridazine-3-carboxamide (CID 106898486) is N-ethyl-6-[(4-ethylphenyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[(4-ethylphenyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[(4-ethylphenyl)methylamino]pyridazine-3-carboxamide is CCNC(=O)c1ccc(NCc2ccc(CC)cc2)nn1.
What is the InChIKey of N-ethyl-6-[(4-ethylphenyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is QFNXLEPDCKRXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-12-5-7-13(8-6-12)11-18-15-10-9-14(19-20-15)16(21)17-4-2/h5-10H,3-4,11H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of N-ethyl-6-[(4-ethylphenyl)methylamino]pyridazine-3-carboxamide?
N-ethyl-6-[(4-ethylphenyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(4-ethylphenyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 106898486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).