N-(5-chloro-2-pyridinyl)-2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]acetamide

C13H15ClN2O3 — CID 39730442

IUPACN-(5-chloro-2-pyridinyl)-2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]acetamide
SMILESCC1(C)C[C@@H](CC(=O)Nc2ccc(Cl)cn2)C(=O)O1
InChIInChI=1S/C13H15ClN2O3/c1-13(2)6-8(12(18)19-13)5-11(17)16-10-4-3-9(14)7-15-10/h3-4,7-8H,5-6H2,1-2H3,(H,15,16,17)/t8-/m1/s1
InChIKeyVIOLKRCKDASYDR-MRVPVSSYSA-N
MW282.73 g/mol
LogP2.41
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]acetamide

N-(5-chloro-2-pyridinyl)-2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]acetamide (PubChem CID 39730442) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]acetamide
PubChem CID39730442
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]acetamide
SMILESCC1(C)C[C@@H](CC(=O)Nc2ccc(Cl)cn2)C(=O)O1
InChIInChI=1S/C13H15ClN2O3/c1-13(2)6-8(12(18)19-13)5-11(17)16-10-4-3-9(14)7-15-10/h3-4,7-8H,5-6H2,1-2H3,(H,15,16,17)/t8-/m1/s1
InChIKeyVIOLKRCKDASYDR-MRVPVSSYSA-N
XLogP2.41
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]acetamide (CID 39730442) is N-(5-chloro-2-pyridinyl)-2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]acetamide is CC1(C)C[C@@H](CC(=O)Nc2ccc(Cl)cn2)C(=O)O1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]acetamide?
The InChIKey is VIOLKRCKDASYDR-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-13(2)6-8(12(18)19-13)5-11(17)16-10-4-3-9(14)7-15-10/h3-4,7-8H,5-6H2,1-2H3,(H,15,16,17)/t8-/m1/s1.
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]acetamide?
N-(5-chloro-2-pyridinyl)-2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]acetamide has a molecular weight of 282.73 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 39730442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).