N-[1-(4-fluorophenyl)ethyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide

C18H15FN4O2 — CID 59018073

IUPACN-[1-(4-fluorophenyl)ethyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccncc2)n[nH]c1=O)c1ccc(F)cc1
InChIInChI=1S/C18H15FN4O2/c1-11(12-2-4-14(19)5-3-12)21-17(24)15-10-16(22-23-18(15)25)13-6-8-20-9-7-13/h2-11H,1H3,(H,21,24)(H,23,25)
InChIKeyCDAUPBZRPCDPMC-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.46
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide

N-[1-(4-fluorophenyl)ethyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide (PubChem CID 59018073) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
PubChem CID59018073
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccncc2)n[nH]c1=O)c1ccc(F)cc1
InChIInChI=1S/C18H15FN4O2/c1-11(12-2-4-14(19)5-3-12)21-17(24)15-10-16(22-23-18(15)25)13-6-8-20-9-7-13/h2-11H,1H3,(H,21,24)(H,23,25)
InChIKeyCDAUPBZRPCDPMC-UHFFFAOYSA-N
XLogP2.46
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide (CID 59018073) is N-[1-(4-fluorophenyl)ethyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide is CC(NC(=O)c1cc(-c2ccncc2)n[nH]c1=O)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide?
The InChIKey is CDAUPBZRPCDPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-11(12-2-4-14(19)5-3-12)21-17(24)15-10-16(22-23-18(15)25)13-6-8-20-9-7-13/h2-11H,1H3,(H,21,24)(H,23,25).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide has a molecular weight of 338.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 59018073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).