1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-6-methyl-4-oxo-N-phenylpyridazine-3-carboxamide

C23H18FN3O3 — CID 18100629

IUPAC1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-6-methyl-4-oxo-N-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(Cc2ccco2)c2ccccc2)nn1-c1ccccc1F
InChIInChI=1S/C23H18FN3O3/c1-16-14-21(28)22(25-27(16)20-12-6-5-11-19(20)24)23(29)26(15-18-10-7-13-30-18)17-8-3-2-4-9-17/h2-14H,15H2,1H3
InChIKeyUAQQIMMPWYUPFX-UHFFFAOYSA-N
MW403.41 g/mol
LogP4.12
Rot. Bonds5

About 1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-6-methyl-4-oxo-N-phenylpyridazine-3-carboxamide

1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-6-methyl-4-oxo-N-phenylpyridazine-3-carboxamide (PubChem CID 18100629) has the molecular formula C23H18FN3O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-6-methyl-4-oxo-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-6-methyl-4-oxo-N-phenylpyridazine-3-carboxamide
PubChem CID18100629
Molecular FormulaC23H18FN3O3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC Name1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-6-methyl-4-oxo-N-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(Cc2ccco2)c2ccccc2)nn1-c1ccccc1F
InChIInChI=1S/C23H18FN3O3/c1-16-14-21(28)22(25-27(16)20-12-6-5-11-19(20)24)23(29)26(15-18-10-7-13-30-18)17-8-3-2-4-9-17/h2-14H,15H2,1H3
InChIKeyUAQQIMMPWYUPFX-UHFFFAOYSA-N
XLogP4.12
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-6-methyl-4-oxo-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-6-methyl-4-oxo-N-phenylpyridazine-3-carboxamide (CID 18100629) is 1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-6-methyl-4-oxo-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-6-methyl-4-oxo-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-6-methyl-4-oxo-N-phenylpyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)N(Cc2ccco2)c2ccccc2)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-6-methyl-4-oxo-N-phenylpyridazine-3-carboxamide?
The InChIKey is UAQQIMMPWYUPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3/c1-16-14-21(28)22(25-27(16)20-12-6-5-11-19(20)24)23(29)26(15-18-10-7-13-30-18)17-8-3-2-4-9-17/h2-14H,15H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-6-methyl-4-oxo-N-phenylpyridazine-3-carboxamide?
1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-6-methyl-4-oxo-N-phenylpyridazine-3-carboxamide has a molecular weight of 403.41 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-6-methyl-4-oxo-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 18100629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).