3-(4-fluorophenoxy)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide

C25H23FN6O2 — CID 122288707

IUPAC3-(4-fluorophenoxy)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
SMILESCc1ccnc(Nc2ccc(NCCNC(=O)c3cccc(Oc4ccc(F)cc4)c3)nn2)c1
InChIInChI=1S/C25H23FN6O2/c1-17-11-12-27-24(15-17)30-23-10-9-22(31-32-23)28-13-14-29-25(33)18-3-2-4-21(16-18)34-20-7-5-19(26)6-8-20/h2-12,15-16H,13-14H2,1H3,(H,28,31)(H,29,33)(H,27,30,32)
InChIKeyWQQMAUJZPTYDQO-UHFFFAOYSA-N
MW458.50 g/mol
LogP4.70
Rot. Bonds9

About 3-(4-fluorophenoxy)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide

3-(4-fluorophenoxy)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide (PubChem CID 122288707) has the molecular formula C25H23FN6O2 and a molecular weight of 458.50 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
PubChem CID122288707
Molecular FormulaC25H23FN6O2
Molecular Weight458.50 g/mol
Exact Mass458.19
IUPAC Name3-(4-fluorophenoxy)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
SMILESCc1ccnc(Nc2ccc(NCCNC(=O)c3cccc(Oc4ccc(F)cc4)c3)nn2)c1
InChIInChI=1S/C25H23FN6O2/c1-17-11-12-27-24(15-17)30-23-10-9-22(31-32-23)28-13-14-29-25(33)18-3-2-4-21(16-18)34-20-7-5-19(26)6-8-20/h2-12,15-16H,13-14H2,1H3,(H,28,31)(H,29,33)(H,27,30,32)
InChIKeyWQQMAUJZPTYDQO-UHFFFAOYSA-N
XLogP4.70
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 121064497
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide
CID 122288653
2-chloro-6-fluoro-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 42111635
3-fluoro-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121064834
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyridine-2-carboxamide
CID 122288531
2,4-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 121064501
(E)-3-(2-fluorophenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]prop-2-enamide
CID 122288699
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2,2-diphenylacetamide
CID 121064588
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 122288649
2,4-difluoro-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
CID 122314561
1-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 42111656
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide
CID 122288549

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide?
The IUPAC name of 3-(4-fluorophenoxy)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide (CID 122288707) is 3-(4-fluorophenoxy)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide?
The canonical SMILES for 3-(4-fluorophenoxy)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide is Cc1ccnc(Nc2ccc(NCCNC(=O)c3cccc(Oc4ccc(F)cc4)c3)nn2)c1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide?
The InChIKey is WQQMAUJZPTYDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2/c1-17-11-12-27-24(15-17)30-23-10-9-22(31-32-23)28-13-14-29-25(33)18-3-2-4-21(16-18)34-20-7-5-19(26)6-8-20/h2-12,15-16H,13-14H2,1H3,(H,28,31)(H,29,33)(H,27,30,32).
What are the key properties of 3-(4-fluorophenoxy)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide?
3-(4-fluorophenoxy)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide has a molecular weight of 458.50 g/mol, XLogP of 4.70, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide is sourced from PubChem (CID 122288707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).