1-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide

C17H23F2N3O3 — CID 153397940

IUPAC1-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
SMILESCN(C)C(=O)C1CCC(C(=O)Nc2cc(F)c(=O)n(CCF)c2)CC1
InChIInChI=1S/C17H23F2N3O3/c1-21(2)16(24)12-5-3-11(4-6-12)15(23)20-13-9-14(19)17(25)22(10-13)8-7-18/h9-12H,3-8H2,1-2H3,(H,20,23)
InChIKeyRTDQXMGESOJCEI-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.79
Rot. Bonds5

About 1-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide

1-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide (PubChem CID 153397940) has the molecular formula C17H23F2N3O3 and a molecular weight of 355.39 g/mol. Its IUPAC name is 1-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
PubChem CID153397940
Molecular FormulaC17H23F2N3O3
Molecular Weight355.39 g/mol
Exact Mass355.17
IUPAC Name1-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
SMILESCN(C)C(=O)C1CCC(C(=O)Nc2cc(F)c(=O)n(CCF)c2)CC1
InChIInChI=1S/C17H23F2N3O3/c1-21(2)16(24)12-5-3-11(4-6-12)15(23)20-13-9-14(19)17(25)22(10-13)8-7-18/h9-12H,3-8H2,1-2H3,(H,20,23)
InChIKeyRTDQXMGESOJCEI-UHFFFAOYSA-N
XLogP1.79
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide (CID 153397940) is 1-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide is CN(C)C(=O)C1CCC(C(=O)Nc2cc(F)c(=O)n(CCF)c2)CC1.
What is the InChIKey of 1-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide?
The InChIKey is RTDQXMGESOJCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O3/c1-21(2)16(24)12-5-3-11(4-6-12)15(23)20-13-9-14(19)17(25)22(10-13)8-7-18/h9-12H,3-8H2,1-2H3,(H,20,23).
What are the key properties of 1-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide?
1-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide has a molecular weight of 355.39 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 153397940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).