N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethyl-3-fluoroazetidine-1-carboxamide

C13H19FN4O2 — CID 166262755

IUPACN-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethyl-3-fluoroazetidine-1-carboxamide
SMILESCCC1(F)CN(C(=O)NCc2c(C)c(C)n[nH]c2=O)C1
InChIInChI=1S/C13H19FN4O2/c1-4-13(14)6-18(7-13)12(20)15-5-10-8(2)9(3)16-17-11(10)19/h4-7H2,1-3H3,(H,15,20)(H,17,19)
InChIKeyZLPFHOZVBXTRCT-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.03
Rot. Bonds3

About N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethyl-3-fluoroazetidine-1-carboxamide

N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethyl-3-fluoroazetidine-1-carboxamide (PubChem CID 166262755) has the molecular formula C13H19FN4O2 and a molecular weight of 282.32 g/mol. Its IUPAC name is N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethyl-3-fluoroazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethyl-3-fluoroazetidine-1-carboxamide
PubChem CID166262755
Molecular FormulaC13H19FN4O2
Molecular Weight282.32 g/mol
Exact Mass282.15
IUPAC NameN-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethyl-3-fluoroazetidine-1-carboxamide
SMILESCCC1(F)CN(C(=O)NCc2c(C)c(C)n[nH]c2=O)C1
InChIInChI=1S/C13H19FN4O2/c1-4-13(14)6-18(7-13)12(20)15-5-10-8(2)9(3)16-17-11(10)19/h4-7H2,1-3H3,(H,15,20)(H,17,19)
InChIKeyZLPFHOZVBXTRCT-UHFFFAOYSA-N
XLogP1.03
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethyl-3-fluoroazetidine-1-carboxamide?
The IUPAC name of N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethyl-3-fluoroazetidine-1-carboxamide (CID 166262755) is N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethyl-3-fluoroazetidine-1-carboxamide.
What is the SMILES notation for N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethyl-3-fluoroazetidine-1-carboxamide?
The canonical SMILES for N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethyl-3-fluoroazetidine-1-carboxamide is CCC1(F)CN(C(=O)NCc2c(C)c(C)n[nH]c2=O)C1.
What is the InChIKey of N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethyl-3-fluoroazetidine-1-carboxamide?
The InChIKey is ZLPFHOZVBXTRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O2/c1-4-13(14)6-18(7-13)12(20)15-5-10-8(2)9(3)16-17-11(10)19/h4-7H2,1-3H3,(H,15,20)(H,17,19).
What are the key properties of N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethyl-3-fluoroazetidine-1-carboxamide?
N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethyl-3-fluoroazetidine-1-carboxamide has a molecular weight of 282.32 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethyl-3-fluoroazetidine-1-carboxamide is sourced from PubChem (CID 166262755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).