N,N-diethyl-6-(2-fluoroanilino)pyridazine-3-carboxamide

C15H17FN4O — CID 109124434

IUPACN,N-diethyl-6-(2-fluoroanilino)pyridazine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2ccccc2F)nn1
InChIInChI=1S/C15H17FN4O/c1-3-20(4-2)15(21)13-9-10-14(19-18-13)17-12-8-6-5-7-11(12)16/h5-10H,3-4H2,1-2H3,(H,17,19)
InChIKeyYSVRMPFITYSJME-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.84
Rot. Bonds5

About N,N-diethyl-6-(2-fluoroanilino)pyridazine-3-carboxamide

N,N-diethyl-6-(2-fluoroanilino)pyridazine-3-carboxamide (PubChem CID 109124434) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is N,N-diethyl-6-(2-fluoroanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-(2-fluoroanilino)pyridazine-3-carboxamide
PubChem CID109124434
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC NameN,N-diethyl-6-(2-fluoroanilino)pyridazine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2ccccc2F)nn1
InChIInChI=1S/C15H17FN4O/c1-3-20(4-2)15(21)13-9-10-14(19-18-13)17-12-8-6-5-7-11(12)16/h5-10H,3-4H2,1-2H3,(H,17,19)
InChIKeyYSVRMPFITYSJME-UHFFFAOYSA-N
XLogP2.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109124460
6-(2-ethoxyanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124452
N-[2-(dimethylamino)ethyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109115424
6-(3-chloro-2-methylanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124439
N,N-diethyl-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109194634
N-[3-(dimethylamino)propyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109116042
6-(2-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114000
6-(4-chloroanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124438
6-(2-ethylanilino)-N,N-dipropylpyridazine-3-carboxamide
CID 109126232
N-[6-(2-fluoroanilino)pyridazin-3-yl]acetamide
CID 113047134
N-[6-(2-fluoroanilino)pyridazin-3-yl]butanamide
CID 113047136
6-(4-acetamidoanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124466

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-(2-fluoroanilino)pyridazine-3-carboxamide?
The IUPAC name of N,N-diethyl-6-(2-fluoroanilino)pyridazine-3-carboxamide (CID 109124434) is N,N-diethyl-6-(2-fluoroanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-6-(2-fluoroanilino)pyridazine-3-carboxamide?
The canonical SMILES for N,N-diethyl-6-(2-fluoroanilino)pyridazine-3-carboxamide is CCN(CC)C(=O)c1ccc(Nc2ccccc2F)nn1.
What is the InChIKey of N,N-diethyl-6-(2-fluoroanilino)pyridazine-3-carboxamide?
The InChIKey is YSVRMPFITYSJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-3-20(4-2)15(21)13-9-10-14(19-18-13)17-12-8-6-5-7-11(12)16/h5-10H,3-4H2,1-2H3,(H,17,19).
What are the key properties of N,N-diethyl-6-(2-fluoroanilino)pyridazine-3-carboxamide?
N,N-diethyl-6-(2-fluoroanilino)pyridazine-3-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-(2-fluoroanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109124434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).