1-(3,4-difluorophenyl)-6-ethoxy-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide

C19H16F2N4O3 — CID 53157592

IUPAC1-(3,4-difluorophenyl)-6-ethoxy-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
SMILESCCOc1cc(=O)c(C(=O)NCc2ccncc2)nn1-c1ccc(F)c(F)c1
InChIInChI=1S/C19H16F2N4O3/c1-2-28-17-10-16(26)18(19(27)23-11-12-5-7-22-8-6-12)24-25(17)13-3-4-14(20)15(21)9-13/h3-10H,2,11H2,1H3,(H,23,27)
InChIKeyGVJUURDEUZUBHX-UHFFFAOYSA-N
MW386.36 g/mol
LogP2.23
Rot. Bonds6

About 1-(3,4-difluorophenyl)-6-ethoxy-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide

1-(3,4-difluorophenyl)-6-ethoxy-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide (PubChem CID 53157592) has the molecular formula C19H16F2N4O3 and a molecular weight of 386.36 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-6-ethoxy-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-6-ethoxy-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
PubChem CID53157592
Molecular FormulaC19H16F2N4O3
Molecular Weight386.36 g/mol
Exact Mass386.12
IUPAC Name1-(3,4-difluorophenyl)-6-ethoxy-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
SMILESCCOc1cc(=O)c(C(=O)NCc2ccncc2)nn1-c1ccc(F)c(F)c1
InChIInChI=1S/C19H16F2N4O3/c1-2-28-17-10-16(26)18(19(27)23-11-12-5-7-22-8-6-12)24-25(17)13-3-4-14(20)15(21)9-13/h3-10H,2,11H2,1H3,(H,23,27)
InChIKeyGVJUURDEUZUBHX-UHFFFAOYSA-N
XLogP2.23
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-difluorophenyl)-6-methoxy-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 53157575
6-ethoxy-1-(4-methylphenyl)-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 53157517
6-ethoxy-N-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide
CID 53157545
1-(3,4-difluorophenyl)-6-ethoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one
CID 53157766
1-(3,4-difluorophenyl)-N-(pyridin-4-ylmethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55772236
1-(3,4-difluorophenyl)-6-ethoxy-3-(piperidine-1-carbonyl)pyridazin-4-one
CID 53157767
1-(3,4-difluorophenyl)-6-ethoxy-3-(thiomorpholine-4-carbonyl)pyridazin-4-one
CID 53338032
1-(3,4-difluorophenyl)-6-ethoxy-3-(4-methylpiperidine-1-carbonyl)pyridazin-4-one
CID 53157768
1-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide
CID 53157656
1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 53157537
N-benzyl-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 53157495
1-(4-fluoro-3-methylphenyl)-5-pyridin-4-yl-N-(pyridin-4-ylmethyl)triazole-4-carboxamide
CID 53123737

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-6-ethoxy-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 1-(3,4-difluorophenyl)-6-ethoxy-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide (CID 53157592) is 1-(3,4-difluorophenyl)-6-ethoxy-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-(3,4-difluorophenyl)-6-ethoxy-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-(3,4-difluorophenyl)-6-ethoxy-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide is CCOc1cc(=O)c(C(=O)NCc2ccncc2)nn1-c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-6-ethoxy-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is GVJUURDEUZUBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O3/c1-2-28-17-10-16(26)18(19(27)23-11-12-5-7-22-8-6-12)24-25(17)13-3-4-14(20)15(21)9-13/h3-10H,2,11H2,1H3,(H,23,27).
What are the key properties of 1-(3,4-difluorophenyl)-6-ethoxy-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
1-(3,4-difluorophenyl)-6-ethoxy-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 386.36 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-6-ethoxy-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 53157592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).