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

C16H20FN5O — CID 109116042

IUPACN-[3-(dimethylamino)propyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(Nc2ccccc2F)nn1
InChIInChI=1S/C16H20FN5O/c1-22(2)11-5-10-18-16(23)14-8-9-15(21-20-14)19-13-7-4-3-6-12(13)17/h3-4,6-9H,5,10-11H2,1-2H3,(H,18,23)(H,19,21)
InChIKeyWJOQHLPBJSJJQN-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.04
Rot. Bonds7

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

N-[3-(dimethylamino)propyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide (PubChem CID 109116042) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
PubChem CID109116042
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC NameN-[3-(dimethylamino)propyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(Nc2ccccc2F)nn1
InChIInChI=1S/C16H20FN5O/c1-22(2)11-5-10-18-16(23)14-8-9-15(21-20-14)19-13-7-4-3-6-12(13)17/h3-4,6-9H,5,10-11H2,1-2H3,(H,18,23)(H,19,21)
InChIKeyWJOQHLPBJSJJQN-UHFFFAOYSA-N
XLogP2.04
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.04
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-[2-(dimethylamino)ethyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109115424
6-(2-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114000
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782
N-[2-(dimethylamino)ethyl]-6-(2-phenoxyanilino)pyridazine-3-carboxamide
CID 109115485
N,N-diethyl-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109124434
N-[3-(dimethylamino)propyl]-6-(4-phenoxyanilino)pyridazine-3-carboxamide
CID 109116087
N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109119919
6-(2-fluoroanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121435
N-[2-(dimethylamino)ethyl]-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109115425
N-[3-(dimethylamino)propyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109115961
N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide
CID 109116034
N-[5-(dimethylamino)pentyl]-6-(18F)fluoropyridazine-3-carboxamide
CID 154026060

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide (CID 109116042) is N-[3-(dimethylamino)propyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide is CN(C)CCCNC(=O)c1ccc(Nc2ccccc2F)nn1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide?
The InChIKey is WJOQHLPBJSJJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O/c1-22(2)11-5-10-18-16(23)14-8-9-15(21-20-14)19-13-7-4-3-6-12(13)17/h3-4,6-9H,5,10-11H2,1-2H3,(H,18,23)(H,19,21).
What are the key properties of N-[3-(dimethylamino)propyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide?
N-[3-(dimethylamino)propyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 2.04, 7 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-fluoroanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109116042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).