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

C13H12FN3O — CID 90865962

IUPACN-[2-(2-fluorophenyl)ethyl]pyridazine-4-carboxamide
SMILESO=C(NCCc1ccccc1F)c1ccnnc1
InChIInChI=1S/C13H12FN3O/c14-12-4-2-1-3-10(12)5-7-15-13(18)11-6-8-16-17-9-11/h1-4,6,8-9H,5,7H2,(H,15,18)
InChIKeyZENAQEDZQIUCQK-UHFFFAOYSA-N
MW245.26 g/mol
LogP1.59
Rot. Bonds4

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

N-[2-(2-fluorophenyl)ethyl]pyridazine-4-carboxamide (PubChem CID 90865962) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]pyridazine-4-carboxamide
PubChem CID90865962
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC NameN-[2-(2-fluorophenyl)ethyl]pyridazine-4-carboxamide
SMILESO=C(NCCc1ccccc1F)c1ccnnc1
InChIInChI=1S/C13H12FN3O/c14-12-4-2-1-3-10(12)5-7-15-13(18)11-6-8-16-17-9-11/h1-4,6,8-9H,5,7H2,(H,15,18)
InChIKeyZENAQEDZQIUCQK-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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Related Compounds

US10343992, Example 152
CID 122590536
N-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyridazine-4-carboxamide
CID 44443760
(3aR,6aR)-5-[(3-fluorophenyl)methyl]-2-(pyridazine-4-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97507850
3-Phenyl-8-(pyridazine-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 118739497
(E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridazin-4-ylprop-2-enamide
CID 134227241
pyrido[4,3-c]pyridazin-5(6H)-one
CID 5324581
4-fluoro-N-methyl-3-pyridazin-4-ylbenzamide
CID 176432721
4-({3-[1-(2,3-Difluorobenzyl)-4-piperidinyl]-1-pyrrolidinyl}carbonyl)pyridazine
CID 45594684
N-(2-phenylethyl)pyrazolo[1,5-b]pyridazine-3-carboxamide
CID 86793780
[(3aR,6aS)-2-[(3-fluorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyridazin-4-ylmethanone
CID 97453052
[(3R)-4-methyl-3-phenylpiperazin-1-yl]-pyridazin-4-ylmethanone
CID 99974574
[(2S)-2-phenylazepan-1-yl]-pyridazin-4-ylmethanone
CID 124574337

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]pyridazine-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]pyridazine-4-carboxamide (CID 90865962) is N-[2-(2-fluorophenyl)ethyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]pyridazine-4-carboxamide is O=C(NCCc1ccccc1F)c1ccnnc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]pyridazine-4-carboxamide?
The InChIKey is ZENAQEDZQIUCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c14-12-4-2-1-3-10(12)5-7-15-13(18)11-6-8-16-17-9-11/h1-4,6,8-9H,5,7H2,(H,15,18).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]pyridazine-4-carboxamide?
N-[2-(2-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-(2-fluorophenyl)ethyl]pyridazine-4-carboxamide is sourced from PubChem (CID 90865962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).