1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopyridazine-3-carboxamide

C18H21FN4O3 — CID 27376481

IUPAC1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopyridazine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(=O)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C18H21FN4O3/c19-15-3-1-14(2-4-15)13-23-17(24)6-5-16(21-23)18(25)20-7-8-22-9-11-26-12-10-22/h1-6H,7-13H2,(H,20,25)
InChIKeyYWCVFSSCYYWENM-UHFFFAOYSA-N
MW360.39 g/mol
LogP0.49
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopyridazine-3-carboxamide

1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 27376481) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopyridazine-3-carboxamide
PubChem CID27376481
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopyridazine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(=O)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C18H21FN4O3/c19-15-3-1-14(2-4-15)13-23-17(24)6-5-16(21-23)18(25)20-7-8-22-9-11-26-12-10-22/h1-6H,7-13H2,(H,20,25)
InChIKeyYWCVFSSCYYWENM-UHFFFAOYSA-N
XLogP0.49
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopyridazine-3-carboxamide (CID 27376481) is 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopyridazine-3-carboxamide is O=C(NCCN1CCOCC1)c1ccc(=O)n(Cc2ccc(F)cc2)n1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is YWCVFSSCYYWENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c19-15-3-1-14(2-4-15)13-23-17(24)6-5-16(21-23)18(25)20-7-8-22-9-11-26-12-10-22/h1-6H,7-13H2,(H,20,25).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopyridazine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 27376481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).