N-[2-(2-hydroxyethyl)-4-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide

C15H22N2O3 — CID 166160707

IUPACN-[2-(2-hydroxyethyl)-4-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide
SMILESCC1CC(C(=O)Nc2ccnc(CCO)c2)OC1(C)C
InChIInChI=1S/C15H22N2O3/c1-10-8-13(20-15(10,2)3)14(19)17-12-4-6-16-11(9-12)5-7-18/h4,6,9-10,13,18H,5,7-8H2,1-3H3,(H,16,17,19)
InChIKeyRSPIREDHHJUOTB-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.76
Rot. Bonds4

About N-[2-(2-hydroxyethyl)-4-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide

N-[2-(2-hydroxyethyl)-4-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide (PubChem CID 166160707) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)-4-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)-4-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide
PubChem CID166160707
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[2-(2-hydroxyethyl)-4-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide
SMILESCC1CC(C(=O)Nc2ccnc(CCO)c2)OC1(C)C
InChIInChI=1S/C15H22N2O3/c1-10-8-13(20-15(10,2)3)14(19)17-12-4-6-16-11(9-12)5-7-18/h4,6,9-10,13,18H,5,7-8H2,1-3H3,(H,16,17,19)
InChIKeyRSPIREDHHJUOTB-UHFFFAOYSA-N
XLogP1.76
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)-4-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)-4-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide (CID 166160707) is N-[2-(2-hydroxyethyl)-4-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)-4-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)-4-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide is CC1CC(C(=O)Nc2ccnc(CCO)c2)OC1(C)C.
What is the InChIKey of N-[2-(2-hydroxyethyl)-4-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide?
The InChIKey is RSPIREDHHJUOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-8-13(20-15(10,2)3)14(19)17-12-4-6-16-11(9-12)5-7-18/h4,6,9-10,13,18H,5,7-8H2,1-3H3,(H,16,17,19).
What are the key properties of N-[2-(2-hydroxyethyl)-4-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide?
N-[2-(2-hydroxyethyl)-4-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)-4-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide is sourced from PubChem (CID 166160707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).