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

C15H18FN5O — CID 109115424

IUPACN-[2-(dimethylamino)ethyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(Nc2ccccc2F)nn1
InChIInChI=1S/C15H18FN5O/c1-21(2)10-9-17-15(22)13-7-8-14(20-19-13)18-12-6-4-3-5-11(12)16/h3-8H,9-10H2,1-2H3,(H,17,22)(H,18,20)
InChIKeyMRYUVRSYPLDTKZ-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.65
Rot. Bonds6

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

N-[2-(dimethylamino)ethyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide (PubChem CID 109115424) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
PubChem CID109115424
Molecular FormulaC15H18FN5O
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC NameN-[2-(dimethylamino)ethyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(Nc2ccccc2F)nn1
InChIInChI=1S/C15H18FN5O/c1-21(2)10-9-17-15(22)13-7-8-14(20-19-13)18-12-6-4-3-5-11(12)16/h3-8H,9-10H2,1-2H3,(H,17,22)(H,18,20)
InChIKeyMRYUVRSYPLDTKZ-UHFFFAOYSA-N
XLogP1.65
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylamino)propyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109116042
6-(2-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114000
N-[2-(dimethylamino)ethyl]-6-(2-phenoxyanilino)pyridazine-3-carboxamide
CID 109115485
N-[2-(dimethylamino)ethyl]-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109115425
N-[2-(dimethylamino)ethyl]-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109115481
N-[2-(dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115146
N-[2-(dimethylamino)ethyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
CID 109115407
N,N-diethyl-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109124434
N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109119919
6-(2-fluoroanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121435
6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109115475
N-[2-(dimethylamino)ethyl]-6-(3,5-dimethylanilino)pyridazine-3-carboxamide
CID 109115410

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide (CID 109115424) is N-[2-(dimethylamino)ethyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide is CN(C)CCNC(=O)c1ccc(Nc2ccccc2F)nn1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide?
The InChIKey is MRYUVRSYPLDTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O/c1-21(2)10-9-17-15(22)13-7-8-14(20-19-13)18-12-6-4-3-5-11(12)16/h3-8H,9-10H2,1-2H3,(H,17,22)(H,18,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109115424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).