N-[2-(2-fluoro-1-hydroxyethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide

C13H17FN2O3 — CID 167211525

IUPACN-[2-(2-fluoro-1-hydroxyethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ccnc(C(O)CF)c2)O1
InChIInChI=1S/C13H17FN2O3/c1-8-2-3-12(19-8)13(18)16-9-4-5-15-10(6-9)11(17)7-14/h4-6,8,11-12,17H,2-3,7H2,1H3,(H,15,16,18)
InChIKeyYZTPBKYCQNCSSD-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.59
Rot. Bonds4

About N-[2-(2-fluoro-1-hydroxyethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide

N-[2-(2-fluoro-1-hydroxyethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide (PubChem CID 167211525) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is N-[2-(2-fluoro-1-hydroxyethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluoro-1-hydroxyethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide
PubChem CID167211525
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC NameN-[2-(2-fluoro-1-hydroxyethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ccnc(C(O)CF)c2)O1
InChIInChI=1S/C13H17FN2O3/c1-8-2-3-12(19-8)13(18)16-9-4-5-15-10(6-9)11(17)7-14/h4-6,8,11-12,17H,2-3,7H2,1H3,(H,15,16,18)
InChIKeyYZTPBKYCQNCSSD-UHFFFAOYSA-N
XLogP1.59
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-1-hydroxyethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide?
The IUPAC name of N-[2-(2-fluoro-1-hydroxyethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide (CID 167211525) is N-[2-(2-fluoro-1-hydroxyethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluoro-1-hydroxyethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-[2-(2-fluoro-1-hydroxyethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)Nc2ccnc(C(O)CF)c2)O1.
What is the InChIKey of N-[2-(2-fluoro-1-hydroxyethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide?
The InChIKey is YZTPBKYCQNCSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-8-2-3-12(19-8)13(18)16-9-4-5-15-10(6-9)11(17)7-14/h4-6,8,11-12,17H,2-3,7H2,1H3,(H,15,16,18).
What are the key properties of N-[2-(2-fluoro-1-hydroxyethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide?
N-[2-(2-fluoro-1-hydroxyethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide has a molecular weight of 268.29 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-1-hydroxyethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 167211525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).