N-(2-fluoroethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide

C12H11FN4O2 — CID 59017982

IUPACN-(2-fluoroethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
SMILESO=C(NCCF)c1cc(-c2ccncc2)n[nH]c1=O
InChIInChI=1S/C12H11FN4O2/c13-3-6-15-11(18)9-7-10(16-17-12(9)19)8-1-4-14-5-2-8/h1-2,4-5,7H,3,6H2,(H,15,18)(H,17,19)
InChIKeyZXLJOUCXUFNTTC-UHFFFAOYSA-N
MW262.24 g/mol
LogP0.53
Rot. Bonds4

About N-(2-fluoroethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide

N-(2-fluoroethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide (PubChem CID 59017982) has the molecular formula C12H11FN4O2 and a molecular weight of 262.24 g/mol. Its IUPAC name is N-(2-fluoroethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
PubChem CID59017982
Molecular FormulaC12H11FN4O2
Molecular Weight262.24 g/mol
Exact Mass262.09
IUPAC NameN-(2-fluoroethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
SMILESO=C(NCCF)c1cc(-c2ccncc2)n[nH]c1=O
InChIInChI=1S/C12H11FN4O2/c13-3-6-15-11(18)9-7-10(16-17-12(9)19)8-1-4-14-5-2-8/h1-2,4-5,7H,3,6H2,(H,15,18)(H,17,19)
InChIKeyZXLJOUCXUFNTTC-UHFFFAOYSA-N
XLogP0.53
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide (CID 59017982) is N-(2-fluoroethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide is O=C(NCCF)c1cc(-c2ccncc2)n[nH]c1=O.
What is the InChIKey of N-(2-fluoroethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide?
The InChIKey is ZXLJOUCXUFNTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2/c13-3-6-15-11(18)9-7-10(16-17-12(9)19)8-1-4-14-5-2-8/h1-2,4-5,7H,3,6H2,(H,15,18)(H,17,19).
What are the key properties of N-(2-fluoroethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide?
N-(2-fluoroethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide has a molecular weight of 262.24 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 59017982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).