(2R,3S)-3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide

C15H20N2O3 — CID 124851759

IUPAC(2R,3S)-3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide
SMILESCC(C)C(=O)c1cnccc1NC(=O)[C@@H]1OCC[C@@H]1C
InChIInChI=1S/C15H20N2O3/c1-9(2)13(18)11-8-16-6-4-12(11)17-15(19)14-10(3)5-7-20-14/h4,6,8-10,14H,5,7H2,1-3H3,(H,16,17,19)/t10-,14+/m0/s1
InChIKeySWQDZIMZXZHCJX-IINYFYTJSA-N
MW276.34 g/mol
LogP2.28
Rot. Bonds4

About (2R,3S)-3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide

(2R,3S)-3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide (PubChem CID 124851759) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2R,3S)-3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide
PubChem CID124851759
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2R,3S)-3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide
SMILESCC(C)C(=O)c1cnccc1NC(=O)[C@@H]1OCC[C@@H]1C
InChIInChI=1S/C15H20N2O3/c1-9(2)13(18)11-8-16-6-4-12(11)17-15(19)14-10(3)5-7-20-14/h4,6,8-10,14H,5,7H2,1-3H3,(H,16,17,19)/t10-,14+/m0/s1
InChIKeySWQDZIMZXZHCJX-IINYFYTJSA-N
XLogP2.28
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide
CID 119045726
N-(2-acetyl-5-fluorophenyl)-3-methyloxolane-2-carboxamide
CID 75503564
2-hydroxy-3-[(3-methyloxolane-2-carbonyl)amino]benzoic acid
CID 113458398
N-(2-hydroxy-4-methylphenyl)-3-methyloxolane-2-carboxamide
CID 81426078
(2R,3R)-N-(3-acetamidophenyl)-3-methyloxolane-2-carboxamide
CID 124591887
N-(2-cyanophenyl)-3-methyloxolane-2-carboxamide
CID 81468862
(2S,3R)-N-(5-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide
CID 126793790
(3-methyloxolan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709614
4-methoxy-2-[(3-methyloxolane-2-carbonyl)amino]benzoic acid
CID 115411107
(2S,3R)-3-methyl-N-(5-phenylpyrimidin-2-yl)oxolane-2-carboxamide
CID 119050857
N-(5-iodo-6-methyl-2-pyridinyl)-3-methyloxolane-2-carboxamide
CID 71914233
N-(2-acetyl-3-methylphenyl)-3-methyloxolane-2-carboxamide
CID 91650588

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide?
The IUPAC name of (2R,3S)-3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide (CID 124851759) is (2R,3S)-3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R,3S)-3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide?
The canonical SMILES for (2R,3S)-3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide is CC(C)C(=O)c1cnccc1NC(=O)[C@@H]1OCC[C@@H]1C.
What is the InChIKey of (2R,3S)-3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide?
The InChIKey is SWQDZIMZXZHCJX-IINYFYTJSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9(2)13(18)11-8-16-6-4-12(11)17-15(19)14-10(3)5-7-20-14/h4,6,8-10,14H,5,7H2,1-3H3,(H,16,17,19)/t10-,14+/m0/s1.
What are the key properties of (2R,3S)-3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide?
(2R,3S)-3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide is sourced from PubChem (CID 124851759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).