(2R,5R)-N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide

C12H16N2O3 — CID 166159129

IUPAC(2R,5R)-N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide
SMILESC[C@@H]1CC[C@H](C(=O)Nc2ccc(CO)nc2)O1
InChIInChI=1S/C12H16N2O3/c1-8-2-5-11(17-8)12(16)14-9-3-4-10(7-15)13-6-9/h3-4,6,8,11,15H,2,5,7H2,1H3,(H,14,16)/t8-,11-/m1/s1
InChIKeyTTWNZHSVFMYVRZ-LDYMZIIASA-N
MW236.27 g/mol
LogP1.08
Rot. Bonds3

About (2R,5R)-N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide

(2R,5R)-N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide (PubChem CID 166159129) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2R,5R)-N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,5R)-N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide
PubChem CID166159129
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(2R,5R)-N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide
SMILESC[C@@H]1CC[C@H](C(=O)Nc2ccc(CO)nc2)O1
InChIInChI=1S/C12H16N2O3/c1-8-2-5-11(17-8)12(16)14-9-3-4-10(7-15)13-6-9/h3-4,6,8,11,15H,2,5,7H2,1H3,(H,14,16)/t8-,11-/m1/s1
InChIKeyTTWNZHSVFMYVRZ-LDYMZIIASA-N
XLogP1.08
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5R)-N-[2-(hydroxymethyl)pyrimidin-5-yl]-5-methyloxolane-2-carboxamide
CID 166159062
N-(6-amino-3-pyridinyl)-5-methyloxolane-2-carboxamide
CID 81331226
(5R)-N-[2-(hydroxymethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide
CID 167211610
5-methyl-N-[6-[[(3S)-oxolan-3-yl]methyl]-3-pyridinyl]oxolane-2-carboxamide
CID 166161188
N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide
CID 166158897
3-[(2,3-difluorophenoxy)methyl]oxolane;N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide
CID 166159979
N-(4-bromophenyl)-5-methyloxolane-2-carboxamide
CID 80949197
5-methyl-N-[2-(methylaminomethyl)-4-pyridinyl]oxolane-2-carboxamide
CID 166160576
N-[4-(bromomethyl)phenyl]-5-methyloxolane-2-carboxamide
CID 114310972
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-methyloxolane-2-carboxamide
CID 81329971
N-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)-5-methyloxolane-2-carboxamide
CID 166160378
N-[2-(2-fluoro-1-hydroxyethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide
CID 167211525

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide?
The IUPAC name of (2R,5R)-N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide (CID 166159129) is (2R,5R)-N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide.
What is the SMILES notation for (2R,5R)-N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide?
The canonical SMILES for (2R,5R)-N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide is C[C@@H]1CC[C@H](C(=O)Nc2ccc(CO)nc2)O1.
What is the InChIKey of (2R,5R)-N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide?
The InChIKey is TTWNZHSVFMYVRZ-LDYMZIIASA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-2-5-11(17-8)12(16)14-9-3-4-10(7-15)13-6-9/h3-4,6,8,11,15H,2,5,7H2,1H3,(H,14,16)/t8-,11-/m1/s1.
What are the key properties of (2R,5R)-N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide?
(2R,5R)-N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 166159129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).