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

C17H25F2N3O3 — CID 153397939

IUPAC1-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide;molecular hydrogen
SMILESCN(C)C(=O)C1CCC(C(=O)Nc2cc(F)c(=O)n(CCF)c2)CC1.[H][H]
InChIInChI=1S/C17H23F2N3O3.H2/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);1H
InChIKeyZBXKLAZDFBEYNR-UHFFFAOYSA-N
MW357.40 g/mol
LogP2.04
Rot. Bonds5

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

1-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide;molecular hydrogen (PubChem CID 153397939) has the molecular formula C17H25F2N3O3 and a molecular weight of 357.40 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 hydrogen.

Molecular Properties

Compound Name1-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide;molecular hydrogen
PubChem CID153397939
Molecular FormulaC17H25F2N3O3
Molecular Weight357.40 g/mol
Exact Mass357.19
IUPAC Name1-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide;molecular hydrogen
SMILESCN(C)C(=O)C1CCC(C(=O)Nc2cc(F)c(=O)n(CCF)c2)CC1.[H][H]
InChIInChI=1S/C17H23F2N3O3.H2/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);1H
InChIKeyZBXKLAZDFBEYNR-UHFFFAOYSA-N
XLogP2.04
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 52.04
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;molecular hydrogen?
The IUPAC name of 1-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide;molecular hydrogen (CID 153397939) is 1-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide;molecular hydrogen.
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;molecular hydrogen?
The canonical SMILES for 1-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide;molecular hydrogen is CN(C)C(=O)C1CCC(C(=O)Nc2cc(F)c(=O)n(CCF)c2)CC1.[H][H].
What is the InChIKey of 1-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide;molecular hydrogen?
The InChIKey is ZBXKLAZDFBEYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O3.H2/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);1H.
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;molecular hydrogen?
1-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide;molecular hydrogen has a molecular weight of 357.40 g/mol, XLogP of 2.04, 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;molecular hydrogen is sourced from PubChem (CID 153397939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).