2-chloro-6-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide

C19H17ClFN5O — CID 113042862

IUPAC2-chloro-6-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide
SMILESCN(CCc1ccncc1)c1ccc(NC(=O)c2c(F)cccc2Cl)nn1
InChIInChI=1S/C19H17ClFN5O/c1-26(12-9-13-7-10-22-11-8-13)17-6-5-16(24-25-17)23-19(27)18-14(20)3-2-4-15(18)21/h2-8,10-11H,9,12H2,1H3,(H,23,24,27)
InChIKeyYKTPLHHBGKVHJD-UHFFFAOYSA-N
MW385.83 g/mol
LogP3.60
Rot. Bonds6

About 2-chloro-6-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide

2-chloro-6-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide (PubChem CID 113042862) has the molecular formula C19H17ClFN5O and a molecular weight of 385.83 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide
PubChem CID113042862
Molecular FormulaC19H17ClFN5O
Molecular Weight385.83 g/mol
Exact Mass385.11
IUPAC Name2-chloro-6-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide
SMILESCN(CCc1ccncc1)c1ccc(NC(=O)c2c(F)cccc2Cl)nn1
InChIInChI=1S/C19H17ClFN5O/c1-26(12-9-13-7-10-22-11-8-13)17-6-5-16(24-25-17)23-19(27)18-14(20)3-2-4-15(18)21/h2-8,10-11H,9,12H2,1H3,(H,23,24,27)
InChIKeyYKTPLHHBGKVHJD-UHFFFAOYSA-N
XLogP3.60
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide
CID 112983725
2-chloro-N-[6-(dipropylamino)pyridazin-3-yl]-6-fluorobenzamide
CID 113045170
N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042823
3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide
CID 113042844
N-(4-fluorophenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109122614
N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]-3-phenoxypropanamide
CID 113042856
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
N-(5-methyl-1,2-oxazol-3-yl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109122658
N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113049239
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113049303
N-[2-(dimethylamino)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109115358
2-chloro-6-fluoro-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 56700402

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide (CID 113042862) is 2-chloro-6-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide is CN(CCc1ccncc1)c1ccc(NC(=O)c2c(F)cccc2Cl)nn1.
What is the InChIKey of 2-chloro-6-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide?
The InChIKey is YKTPLHHBGKVHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN5O/c1-26(12-9-13-7-10-22-11-8-13)17-6-5-16(24-25-17)23-19(27)18-14(20)3-2-4-15(18)21/h2-8,10-11H,9,12H2,1H3,(H,23,24,27).
What are the key properties of 2-chloro-6-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide?
2-chloro-6-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide has a molecular weight of 385.83 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 113042862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).