N-[2-(2-fluoroethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide

C13H17FN2O2 — CID 167212317

IUPACN-[2-(2-fluoroethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ccnc(CCF)c2)O1
InChIInChI=1S/C13H17FN2O2/c1-9-2-3-12(18-9)13(17)16-11-5-7-15-10(8-11)4-6-14/h5,7-9,12H,2-4,6H2,1H3,(H,15,16,17)
InChIKeyPOWDNQBXLKAHNI-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.10
Rot. Bonds4

About N-[2-(2-fluoroethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide

N-[2-(2-fluoroethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide (PubChem CID 167212317) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-[2-(2-fluoroethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluoroethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide
PubChem CID167212317
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-[2-(2-fluoroethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ccnc(CCF)c2)O1
InChIInChI=1S/C13H17FN2O2/c1-9-2-3-12(18-9)13(17)16-11-5-7-15-10(8-11)4-6-14/h5,7-9,12H,2-4,6H2,1H3,(H,15,16,17)
InChIKeyPOWDNQBXLKAHNI-UHFFFAOYSA-N
XLogP2.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoroethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide?
The IUPAC name of N-[2-(2-fluoroethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide (CID 167212317) is N-[2-(2-fluoroethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluoroethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-[2-(2-fluoroethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)Nc2ccnc(CCF)c2)O1.
What is the InChIKey of N-[2-(2-fluoroethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide?
The InChIKey is POWDNQBXLKAHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-9-2-3-12(18-9)13(17)16-11-5-7-15-10(8-11)4-6-14/h5,7-9,12H,2-4,6H2,1H3,(H,15,16,17).
What are the key properties of N-[2-(2-fluoroethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide?
N-[2-(2-fluoroethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoroethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 167212317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).