1-(2-fluorophenyl)-6-oxo-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]pyridazine-3-carboxamide

C24H19FN4O3 — CID 175583321

IUPAC1-(2-fluorophenyl)-6-oxo-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]pyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)n(-c2ccccc2F)n1)c1cccc(Oc2ccncc2)c1
InChIInChI=1S/C24H19FN4O3/c1-16(17-5-4-6-19(15-17)32-18-11-13-26-14-12-18)27-24(31)21-9-10-23(30)29(28-21)22-8-3-2-7-20(22)25/h2-16H,1H3,(H,27,31)
InChIKeyQVNUHSINFZOMOH-UHFFFAOYSA-N
MW430.44 g/mol
LogP4.05
Rot. Bonds6

About 1-(2-fluorophenyl)-6-oxo-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]pyridazine-3-carboxamide

1-(2-fluorophenyl)-6-oxo-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]pyridazine-3-carboxamide (PubChem CID 175583321) has the molecular formula C24H19FN4O3 and a molecular weight of 430.44 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-oxo-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6-oxo-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]pyridazine-3-carboxamide
PubChem CID175583321
Molecular FormulaC24H19FN4O3
Molecular Weight430.44 g/mol
Exact Mass430.14
IUPAC Name1-(2-fluorophenyl)-6-oxo-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]pyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)n(-c2ccccc2F)n1)c1cccc(Oc2ccncc2)c1
InChIInChI=1S/C24H19FN4O3/c1-16(17-5-4-6-19(15-17)32-18-11-13-26-14-12-18)27-24(31)21-9-10-23(30)29(28-21)22-8-3-2-7-20(22)25/h2-16H,1H3,(H,27,31)
InChIKeyQVNUHSINFZOMOH-UHFFFAOYSA-N
XLogP4.05
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(2-chloro-3-fluorophenyl)ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 167473627
(E)-3-(2,3-difluorophenyl)-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]prop-2-enamide
CID 22473232
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(1R)-1-pyridin-4-ylethyl]pyridazine-3-carboxamide
CID 51924968
N-[(1R)-1-[5-amino-2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 167473587
N-[(1R)-1-[3-(1,1-difluoro-2-methoxyethyl)-2-fluorophenyl]ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 167473534
(E)-3-(3,4-difluorophenyl)-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]prop-2-enamide
CID 22473276
2-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]pentanoic acid
CID 120534639
1-(2-fluorophenyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112827033
(E)-3-pyridin-4-yl-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]prop-2-enamide
CID 20791792
1-(2-fluorophenyl)-N-[(1R)-1-[2-methyl-5-nitro-3-(trifluoromethyl)phenyl]ethyl]-6-oxopyridazine-3-carboxamide
CID 172536168
3-fluoro-N-[1-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 115645750
N-[(1R)-1-[5-[5-chloro-2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 167473502

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6-oxo-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-6-oxo-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]pyridazine-3-carboxamide (CID 175583321) is 1-(2-fluorophenyl)-6-oxo-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-6-oxo-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-6-oxo-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]pyridazine-3-carboxamide is CC(NC(=O)c1ccc(=O)n(-c2ccccc2F)n1)c1cccc(Oc2ccncc2)c1.
What is the InChIKey of 1-(2-fluorophenyl)-6-oxo-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]pyridazine-3-carboxamide?
The InChIKey is QVNUHSINFZOMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3/c1-16(17-5-4-6-19(15-17)32-18-11-13-26-14-12-18)27-24(31)21-9-10-23(30)29(28-21)22-8-3-2-7-20(22)25/h2-16H,1H3,(H,27,31).
What are the key properties of 1-(2-fluorophenyl)-6-oxo-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]pyridazine-3-carboxamide?
1-(2-fluorophenyl)-6-oxo-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]pyridazine-3-carboxamide has a molecular weight of 430.44 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-6-oxo-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 175583321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).