N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide

C13H18N2O4 — CID 166158897

IUPACN-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ccc(C(O)CO)nc2)O1
InChIInChI=1S/C13H18N2O4/c1-8-2-5-12(19-8)13(18)15-9-3-4-10(14-6-9)11(17)7-16/h3-4,6,8,11-12,16-17H,2,5,7H2,1H3,(H,15,18)
InChIKeyTYHTVGZFVUSZEF-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.61
Rot. Bonds4

About N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide

N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide (PubChem CID 166158897) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide
PubChem CID166158897
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ccc(C(O)CO)nc2)O1
InChIInChI=1S/C13H18N2O4/c1-8-2-5-12(19-8)13(18)15-9-3-4-10(14-6-9)11(17)7-16/h3-4,6,8,11-12,16-17H,2,5,7H2,1H3,(H,15,18)
InChIKeyTYHTVGZFVUSZEF-UHFFFAOYSA-N
XLogP0.61
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,5R)-N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide
CID 166159129
N-(6-amino-3-pyridinyl)-5-methyloxolane-2-carboxamide
CID 81331226
(2R,5R)-N-[2-(hydroxymethyl)pyrimidin-5-yl]-5-methyloxolane-2-carboxamide
CID 166159062
N-[2-(2-fluoro-1-hydroxyethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide
CID 167211525
[6-(1,2-dihydroxyethyl)-3-pyridinyl]carbamic acid
CID 139580255
(5R)-N-[2-(hydroxymethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide
CID 167211610
N-(4-bromophenyl)-5-methyloxolane-2-carboxamide
CID 80949197
5-methyl-N-[6-[[(3S)-oxolan-3-yl]methyl]-3-pyridinyl]oxolane-2-carboxamide
CID 166161188
N-[4-(bromomethyl)phenyl]-5-methyloxolane-2-carboxamide
CID 114310972
5-methyl-N-[2-(methylaminomethyl)-4-pyridinyl]oxolane-2-carboxamide
CID 166160576
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-methyloxolane-2-carboxamide
CID 81329971
N-[2-(1,2-dihydroxyethyl)-4-pyridinyl]-5,5-dimethyloxolane-2-carboxamide
CID 166161611

Frequently Asked Questions

What is the IUPAC name of N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide?
The IUPAC name of N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide (CID 166158897) is N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)Nc2ccc(C(O)CO)nc2)O1.
What is the InChIKey of N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide?
The InChIKey is TYHTVGZFVUSZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8-2-5-12(19-8)13(18)15-9-3-4-10(14-6-9)11(17)7-16/h3-4,6,8,11-12,16-17H,2,5,7H2,1H3,(H,15,18).
What are the key properties of N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide?
N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 166158897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).