N-[2-(3-fluorophenyl)ethyl]pyridazine-4-carboxamide

C13H12FN3O — CID 90931901

IUPACN-[2-(3-fluorophenyl)ethyl]pyridazine-4-carboxamide
SMILESO=C(NCCc1cccc(F)c1)c1ccnnc1
InChIInChI=1S/C13H12FN3O/c14-12-3-1-2-10(8-12)4-6-15-13(18)11-5-7-16-17-9-11/h1-3,5,7-9H,4,6H2,(H,15,18)
InChIKeyNLSHGCNNXOZZHJ-UHFFFAOYSA-N
MW245.26 g/mol
LogP1.59
Rot. Bonds4

About N-[2-(3-fluorophenyl)ethyl]pyridazine-4-carboxamide

N-[2-(3-fluorophenyl)ethyl]pyridazine-4-carboxamide (PubChem CID 90931901) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]pyridazine-4-carboxamide
PubChem CID90931901
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC NameN-[2-(3-fluorophenyl)ethyl]pyridazine-4-carboxamide
SMILESO=C(NCCc1cccc(F)c1)c1ccnnc1
InChIInChI=1S/C13H12FN3O/c14-12-3-1-2-10(8-12)4-6-15-13(18)11-5-7-16-17-9-11/h1-3,5,7-9H,4,6H2,(H,15,18)
InChIKeyNLSHGCNNXOZZHJ-UHFFFAOYSA-N
XLogP1.59
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]pyridazine-4-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]pyridazine-4-carboxamide (CID 90931901) is N-[2-(3-fluorophenyl)ethyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]pyridazine-4-carboxamide is O=C(NCCc1cccc(F)c1)c1ccnnc1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]pyridazine-4-carboxamide?
The InChIKey is NLSHGCNNXOZZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c14-12-3-1-2-10(8-12)4-6-15-13(18)11-5-7-16-17-9-11/h1-3,5,7-9H,4,6H2,(H,15,18).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]pyridazine-4-carboxamide?
N-[2-(3-fluorophenyl)ethyl]pyridazine-4-carboxamide has a molecular weight of 245.26 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]pyridazine-4-carboxamide is sourced from PubChem (CID 90931901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).