N-ethyl-N-[(3-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

C14H14FN3O2 — CID 51189967

IUPACN-ethyl-N-[(3-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C14H14FN3O2/c1-2-18(9-10-4-3-5-11(15)8-10)14(20)12-6-7-13(19)17-16-12/h3-8H,2,9H2,1H3,(H,17,19)
InChIKeyCJSWBKUTBCYXMC-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.57
Rot. Bonds4

About N-ethyl-N-[(3-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

N-ethyl-N-[(3-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 51189967) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID51189967
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC NameN-ethyl-N-[(3-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C14H14FN3O2/c1-2-18(9-10-4-3-5-11(15)8-10)14(20)12-6-7-13(19)17-16-12/h3-8H,2,9H2,1H3,(H,17,19)
InChIKeyCJSWBKUTBCYXMC-UHFFFAOYSA-N
XLogP1.57
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[(3-fluorophenyl)methyl]-2H-triazole-4-carboxamide
CID 47335109
N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51073091
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
CID 86926377
3-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 107518452
N-(1-benzofuran-2-ylmethyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
CID 166219967
N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110670033
N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 78800898
2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 60655580
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
N-[(2-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 46994351
N-ethyl-6-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridazine-3-carboxamide
CID 110704750
5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624921

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 51189967) is N-ethyl-N-[(3-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[(3-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[(3-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is CCN(Cc1cccc(F)c1)C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-ethyl-N-[(3-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is CJSWBKUTBCYXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-2-18(9-10-4-3-5-11(15)8-10)14(20)12-6-7-13(19)17-16-12/h3-8H,2,9H2,1H3,(H,17,19).
What are the key properties of N-ethyl-N-[(3-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-ethyl-N-[(3-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 275.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 51189967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).