N-(5-fluoro-2-methyl-4-pyridinyl)-5-methyloxolane-2-carboxamide

C12H15FN2O2 — CID 166160652

IUPACN-(5-fluoro-2-methyl-4-pyridinyl)-5-methyloxolane-2-carboxamide
SMILESCc1cc(NC(=O)C2CCC(C)O2)c(F)cn1
InChIInChI=1S/C12H15FN2O2/c1-7-5-10(9(13)6-14-7)15-12(16)11-4-3-8(2)17-11/h5-6,8,11H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyWQHVBUACQRDKRE-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.04
Rot. Bonds2

About N-(5-fluoro-2-methyl-4-pyridinyl)-5-methyloxolane-2-carboxamide

N-(5-fluoro-2-methyl-4-pyridinyl)-5-methyloxolane-2-carboxamide (PubChem CID 166160652) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is N-(5-fluoro-2-methyl-4-pyridinyl)-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methyl-4-pyridinyl)-5-methyloxolane-2-carboxamide
PubChem CID166160652
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC NameN-(5-fluoro-2-methyl-4-pyridinyl)-5-methyloxolane-2-carboxamide
SMILESCc1cc(NC(=O)C2CCC(C)O2)c(F)cn1
InChIInChI=1S/C12H15FN2O2/c1-7-5-10(9(13)6-14-7)15-12(16)11-4-3-8(2)17-11/h5-6,8,11H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyWQHVBUACQRDKRE-UHFFFAOYSA-N
XLogP2.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methyl-4-pyridinyl)-5-methyloxolane-2-carboxamide?
The IUPAC name of N-(5-fluoro-2-methyl-4-pyridinyl)-5-methyloxolane-2-carboxamide (CID 166160652) is N-(5-fluoro-2-methyl-4-pyridinyl)-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methyl-4-pyridinyl)-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methyl-4-pyridinyl)-5-methyloxolane-2-carboxamide is Cc1cc(NC(=O)C2CCC(C)O2)c(F)cn1.
What is the InChIKey of N-(5-fluoro-2-methyl-4-pyridinyl)-5-methyloxolane-2-carboxamide?
The InChIKey is WQHVBUACQRDKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-7-5-10(9(13)6-14-7)15-12(16)11-4-3-8(2)17-11/h5-6,8,11H,3-4H2,1-2H3,(H,14,15,16).
What are the key properties of N-(5-fluoro-2-methyl-4-pyridinyl)-5-methyloxolane-2-carboxamide?
N-(5-fluoro-2-methyl-4-pyridinyl)-5-methyloxolane-2-carboxamide has a molecular weight of 238.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methyl-4-pyridinyl)-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 166160652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).