1-[(4-fluorophenyl)methyl]-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C21H22FN3O2 — CID 60611449

IUPAC1-[(4-fluorophenyl)methyl]-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1cccc(CCNC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)c1
InChIInChI=1S/C21H22FN3O2/c1-15-3-2-4-16(13-15)11-12-23-21(27)19-9-10-20(26)25(24-19)14-17-5-7-18(22)8-6-17/h2-8,13H,9-12,14H2,1H3,(H,23,27)
InChIKeyFOSZRTUWVPRGNX-UHFFFAOYSA-N
MW367.42 g/mol
LogP2.97
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-[(4-fluorophenyl)methyl]-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 60611449) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID60611449
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1cccc(CCNC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)c1
InChIInChI=1S/C21H22FN3O2/c1-15-3-2-4-16(13-15)11-12-23-21(27)19-9-10-20(26)25(24-19)14-17-5-7-18(22)8-6-17/h2-8,13H,9-12,14H2,1H3,(H,23,27)
InChIKeyFOSZRTUWVPRGNX-UHFFFAOYSA-N
XLogP2.97
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 60611449) is 1-[(4-fluorophenyl)methyl]-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1cccc(CCNC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is FOSZRTUWVPRGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-15-3-2-4-16(13-15)11-12-23-21(27)19-9-10-20(26)25(24-19)14-17-5-7-18(22)8-6-17/h2-8,13H,9-12,14H2,1H3,(H,23,27).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 60611449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).