N-[2-(1,2-dihydroxyethyl)-4-pyridinyl]-5,5-dimethyloxolane-2-carboxamide

C14H20N2O4 — CID 166161611

IUPACN-[2-(1,2-dihydroxyethyl)-4-pyridinyl]-5,5-dimethyloxolane-2-carboxamide
SMILESCC1(C)CCC(C(=O)Nc2ccnc(C(O)CO)c2)O1
InChIInChI=1S/C14H20N2O4/c1-14(2)5-3-12(20-14)13(19)16-9-4-6-15-10(7-9)11(18)8-17/h4,6-7,11-12,17-18H,3,5,8H2,1-2H3,(H,15,16,19)
InChIKeyUFLULLTYNXIOEL-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.00
Rot. Bonds4

About N-[2-(1,2-dihydroxyethyl)-4-pyridinyl]-5,5-dimethyloxolane-2-carboxamide

N-[2-(1,2-dihydroxyethyl)-4-pyridinyl]-5,5-dimethyloxolane-2-carboxamide (PubChem CID 166161611) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[2-(1,2-dihydroxyethyl)-4-pyridinyl]-5,5-dimethyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2-dihydroxyethyl)-4-pyridinyl]-5,5-dimethyloxolane-2-carboxamide
PubChem CID166161611
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-[2-(1,2-dihydroxyethyl)-4-pyridinyl]-5,5-dimethyloxolane-2-carboxamide
SMILESCC1(C)CCC(C(=O)Nc2ccnc(C(O)CO)c2)O1
InChIInChI=1S/C14H20N2O4/c1-14(2)5-3-12(20-14)13(19)16-9-4-6-15-10(7-9)11(18)8-17/h4,6-7,11-12,17-18H,3,5,8H2,1-2H3,(H,15,16,19)
InChIKeyUFLULLTYNXIOEL-UHFFFAOYSA-N
XLogP1.00
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-fluoro-1-hydroxyethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide
CID 167211525
N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide
CID 166158897
1,2-difluoro-3-methoxybenzene;N-[2-(1,2-dihydroxyethyl)-4-pyridinyl]-3,3-difluorocyclohexane-1-carboxamide
CID 177192836
4-(2,5-dioxaspiro[3.4]octane-6-carbonylamino)pyridine-2-carboxamide
CID 166159349
(2S,3R,4R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(1S)-1,2-dihydroxyethyl]-4-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide
CID 166160259
(2S,3R,5S)-N-[2-[(1S)-1,2-dihydroxyethyl]-4-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167211891
(2S,3R,5S)-N-[2-[(1S)-1,2-dihydroxyethyl]-4-pyridinyl]-3-(2-ethoxy-3,4-difluorophenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167211894
(2S,3S,4R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(1S)-1,2-dihydroxyethyl]-4-pyridinyl]-4-methoxy-5,5-dimethyloxolane-2-carboxamide
CID 167206116
N-[2-(2-hydroxyethyl)-4-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide
CID 166160707
(2S,3R,4R,5S)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-N-[2-[(1S)-1,2-dihydroxyethyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167211819
N-(5-chloro-1-methylbenzimidazol-2-yl)-5,5-dimethyloxolane-2-carboxamide
CID 146128556
(5R)-N-[2-(hydroxymethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide
CID 167211610

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-dihydroxyethyl)-4-pyridinyl]-5,5-dimethyloxolane-2-carboxamide?
The IUPAC name of N-[2-(1,2-dihydroxyethyl)-4-pyridinyl]-5,5-dimethyloxolane-2-carboxamide (CID 166161611) is N-[2-(1,2-dihydroxyethyl)-4-pyridinyl]-5,5-dimethyloxolane-2-carboxamide.
What is the SMILES notation for N-[2-(1,2-dihydroxyethyl)-4-pyridinyl]-5,5-dimethyloxolane-2-carboxamide?
The canonical SMILES for N-[2-(1,2-dihydroxyethyl)-4-pyridinyl]-5,5-dimethyloxolane-2-carboxamide is CC1(C)CCC(C(=O)Nc2ccnc(C(O)CO)c2)O1.
What is the InChIKey of N-[2-(1,2-dihydroxyethyl)-4-pyridinyl]-5,5-dimethyloxolane-2-carboxamide?
The InChIKey is UFLULLTYNXIOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2)5-3-12(20-14)13(19)16-9-4-6-15-10(7-9)11(18)8-17/h4,6-7,11-12,17-18H,3,5,8H2,1-2H3,(H,15,16,19).
What are the key properties of N-[2-(1,2-dihydroxyethyl)-4-pyridinyl]-5,5-dimethyloxolane-2-carboxamide?
N-[2-(1,2-dihydroxyethyl)-4-pyridinyl]-5,5-dimethyloxolane-2-carboxamide has a molecular weight of 280.32 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-dihydroxyethyl)-4-pyridinyl]-5,5-dimethyloxolane-2-carboxamide is sourced from PubChem (CID 166161611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).