(2R,4R)-N-(5-chloro-2-pyridinyl)-4-ethyl-2-methyl-5-oxooxolane-2-carboxamide

C13H15ClN2O3 — CID 916030

IUPAC(2R,4R)-N-(5-chloro-2-pyridinyl)-4-ethyl-2-methyl-5-oxooxolane-2-carboxamide
SMILESCC[C@@H]1C[C@](C)(C(=O)Nc2ccc(Cl)cn2)OC1=O
InChIInChI=1S/C13H15ClN2O3/c1-3-8-6-13(2,19-11(8)17)12(18)16-10-5-4-9(14)7-15-10/h4-5,7-8H,3,6H2,1-2H3,(H,15,16,18)/t8-,13-/m1/s1
InChIKeyMUCJOVPRFSHJBP-AMIZOPFISA-N
MW282.73 g/mol
LogP2.41
Rot. Bonds3

About (2R,4R)-N-(5-chloro-2-pyridinyl)-4-ethyl-2-methyl-5-oxooxolane-2-carboxamide

(2R,4R)-N-(5-chloro-2-pyridinyl)-4-ethyl-2-methyl-5-oxooxolane-2-carboxamide (PubChem CID 916030) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is (2R,4R)-N-(5-chloro-2-pyridinyl)-4-ethyl-2-methyl-5-oxooxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-(5-chloro-2-pyridinyl)-4-ethyl-2-methyl-5-oxooxolane-2-carboxamide
PubChem CID916030
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name(2R,4R)-N-(5-chloro-2-pyridinyl)-4-ethyl-2-methyl-5-oxooxolane-2-carboxamide
SMILESCC[C@@H]1C[C@](C)(C(=O)Nc2ccc(Cl)cn2)OC1=O
InChIInChI=1S/C13H15ClN2O3/c1-3-8-6-13(2,19-11(8)17)12(18)16-10-5-4-9(14)7-15-10/h4-5,7-8H,3,6H2,1-2H3,(H,15,16,18)/t8-,13-/m1/s1
InChIKeyMUCJOVPRFSHJBP-AMIZOPFISA-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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-(5-chloro-2-pyridinyl)-4-ethyl-2-methyl-5-oxooxolane-2-carboxamide?
The IUPAC name of (2R,4R)-N-(5-chloro-2-pyridinyl)-4-ethyl-2-methyl-5-oxooxolane-2-carboxamide (CID 916030) is (2R,4R)-N-(5-chloro-2-pyridinyl)-4-ethyl-2-methyl-5-oxooxolane-2-carboxamide.
What is the SMILES notation for (2R,4R)-N-(5-chloro-2-pyridinyl)-4-ethyl-2-methyl-5-oxooxolane-2-carboxamide?
The canonical SMILES for (2R,4R)-N-(5-chloro-2-pyridinyl)-4-ethyl-2-methyl-5-oxooxolane-2-carboxamide is CC[C@@H]1C[C@](C)(C(=O)Nc2ccc(Cl)cn2)OC1=O.
What is the InChIKey of (2R,4R)-N-(5-chloro-2-pyridinyl)-4-ethyl-2-methyl-5-oxooxolane-2-carboxamide?
The InChIKey is MUCJOVPRFSHJBP-AMIZOPFISA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-3-8-6-13(2,19-11(8)17)12(18)16-10-5-4-9(14)7-15-10/h4-5,7-8H,3,6H2,1-2H3,(H,15,16,18)/t8-,13-/m1/s1.
What are the key properties of (2R,4R)-N-(5-chloro-2-pyridinyl)-4-ethyl-2-methyl-5-oxooxolane-2-carboxamide?
(2R,4R)-N-(5-chloro-2-pyridinyl)-4-ethyl-2-methyl-5-oxooxolane-2-carboxamide 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 (2R,4R)-N-(5-chloro-2-pyridinyl)-4-ethyl-2-methyl-5-oxooxolane-2-carboxamide is sourced from PubChem (CID 916030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).