[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl pentanoate

C16H24N2O4 — CID 145371946

IUPAC[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl pentanoate
SMILESCCCCC(=O)OCC1CCC(N2C=CCC(C(N)=O)=C2)O1
InChIInChI=1S/C16H24N2O4/c1-2-3-6-15(19)21-11-13-7-8-14(22-13)18-9-4-5-12(10-18)16(17)20/h4,9-10,13-14H,2-3,5-8,11H2,1H3,(H2,17,20)
InChIKeyHXHIPZMUYQJZBI-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.81
Rot. Bonds7

About [5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl pentanoate

[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl pentanoate (PubChem CID 145371946) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is [5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl pentanoate.

Molecular Properties

Compound Name[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl pentanoate
PubChem CID145371946
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl pentanoate
SMILESCCCCC(=O)OCC1CCC(N2C=CCC(C(N)=O)=C2)O1
InChIInChI=1S/C16H24N2O4/c1-2-3-6-15(19)21-11-13-7-8-14(22-13)18-9-4-5-12(10-18)16(17)20/h4,9-10,13-14H,2-3,5-8,11H2,1H3,(H2,17,20)
InChIKeyHXHIPZMUYQJZBI-UHFFFAOYSA-N
XLogP1.81
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl butanoate
CID 144971544
[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl 3-hydroxy-4-oxobutanoate;methanol
CID 142505319
1-[(2R,5S)-5-[(2-aminoacetyl)oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid
CID 166537523
[(3S,4R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl tetradecanoate
CID 130198095
methoxymethane;1-[5-[[(E)-4-oxobut-2-enoyl]oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid
CID 155746079
propan-2-yl 2-[[[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate
CID 142505333
[(2S,5S)-5-(iodomethyl)oxolan-2-yl]methyl pentanoate
CID 118183523
4-O-[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoyl-4H-pyridin-1-yl)-3-methyloxolan-2-yl]methyl] 1-O-methyl butanedioate
CID 159990842
(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl hexanoate
CID 142645249
(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl decanoate
CID 142645253
[(2R,3R,4R,5R)-2-(3-carbamoyl-4H-pyridin-1-yl)-5-ethyl-4-methyloxolan-3-yl] acetate
CID 160978673
[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl tetradecanoate
CID 166754337

Frequently Asked Questions

What is the IUPAC name of [5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl pentanoate?
The IUPAC name of [5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl pentanoate (CID 145371946) is [5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl pentanoate.
What is the SMILES notation for [5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl pentanoate?
The canonical SMILES for [5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl pentanoate is CCCCC(=O)OCC1CCC(N2C=CCC(C(N)=O)=C2)O1.
What is the InChIKey of [5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl pentanoate?
The InChIKey is HXHIPZMUYQJZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-2-3-6-15(19)21-11-13-7-8-14(22-13)18-9-4-5-12(10-18)16(17)20/h4,9-10,13-14H,2-3,5-8,11H2,1H3,(H2,17,20).
What are the key properties of [5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl pentanoate?
[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl pentanoate has a molecular weight of 308.38 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl pentanoate is sourced from PubChem (CID 145371946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).