3-(2-methyl-6-oxo-1-pyridinyl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide

C14H20N2O3 — CID 125439672

IUPAC3-(2-methyl-6-oxo-1-pyridinyl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide
SMILESCc1cccc(=O)n1CCC(=O)NC[C@@H]1CCOC1
InChIInChI=1S/C14H20N2O3/c1-11-3-2-4-14(18)16(11)7-5-13(17)15-9-12-6-8-19-10-12/h2-4,12H,5-10H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeySTWUKGXGDPXCLI-LBPRGKRZSA-N
MW264.32 g/mol
LogP0.70
Rot. Bonds5

About 3-(2-methyl-6-oxo-1-pyridinyl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide

3-(2-methyl-6-oxo-1-pyridinyl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide (PubChem CID 125439672) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(2-methyl-6-oxo-1-pyridinyl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-methyl-6-oxo-1-pyridinyl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide
PubChem CID125439672
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-(2-methyl-6-oxo-1-pyridinyl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide
SMILESCc1cccc(=O)n1CCC(=O)NC[C@@H]1CCOC1
InChIInChI=1S/C14H20N2O3/c1-11-3-2-4-14(18)16(11)7-5-13(17)15-9-12-6-8-19-10-12/h2-4,12H,5-10H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeySTWUKGXGDPXCLI-LBPRGKRZSA-N
XLogP0.70
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide
CID 53499763
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 97192487
3-(2-ethylbenzimidazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide
CID 119068190
3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-3-ylmethyl)propanamide
CID 51079032
formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]methyl]pyrrolidin-2-yl]acetate
CID 171712825
N-(oxolan-3-ylmethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 51114488
N-[(2,5-dimethylphenyl)methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 74248825
3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide
CID 126441731
3-[4-(methylsulfamoyl)phenyl]-N-(oxolan-3-ylmethyl)propanamide
CID 51079061
1-[2-amino-2-(oxolan-3-yl)ethyl]-6-methylpyridin-2-one
CID 104747379
N-(oxolan-3-ylmethyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 53498479
4-(4-fluorophenyl)-4-oxo-N-(oxolan-3-ylmethyl)butanamide
CID 47187587

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-6-oxo-1-pyridinyl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide?
The IUPAC name of 3-(2-methyl-6-oxo-1-pyridinyl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide (CID 125439672) is 3-(2-methyl-6-oxo-1-pyridinyl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide.
What is the SMILES notation for 3-(2-methyl-6-oxo-1-pyridinyl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide?
The canonical SMILES for 3-(2-methyl-6-oxo-1-pyridinyl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide is Cc1cccc(=O)n1CCC(=O)NC[C@@H]1CCOC1.
What is the InChIKey of 3-(2-methyl-6-oxo-1-pyridinyl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide?
The InChIKey is STWUKGXGDPXCLI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11-3-2-4-14(18)16(11)7-5-13(17)15-9-12-6-8-19-10-12/h2-4,12H,5-10H2,1H3,(H,15,17)/t12-/m0/s1.
What are the key properties of 3-(2-methyl-6-oxo-1-pyridinyl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide?
3-(2-methyl-6-oxo-1-pyridinyl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide has a molecular weight of 264.32 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-6-oxo-1-pyridinyl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide is sourced from PubChem (CID 125439672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).