(2S)-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]propanamide

C9H12N2O3 — CID 40793477

IUPAC(2S)-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]propanamide
SMILESCc1[nH]ccc(=O)c1O[C@@H](C)C(N)=O
InChIInChI=1S/C9H12N2O3/c1-5-8(7(12)3-4-11-5)14-6(2)9(10)13/h3-4,6H,1-2H3,(H2,10,13)(H,11,12)/t6-/m0/s1
InChIKeyYXLORWQEFYNMSJ-LURJTMIESA-N
MW196.21 g/mol
LogP-0.06
Rot. Bonds3

About (2S)-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]propanamide

(2S)-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]propanamide (PubChem CID 40793477) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is (2S)-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]propanamide.

Molecular Properties

Compound Name(2S)-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]propanamide
PubChem CID40793477
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name(2S)-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]propanamide
SMILESCc1[nH]ccc(=O)c1O[C@@H](C)C(N)=O
InChIInChI=1S/C9H12N2O3/c1-5-8(7(12)3-4-11-5)14-6(2)9(10)13/h3-4,6H,1-2H3,(H2,10,13)(H,11,12)/t6-/m0/s1
InChIKeyYXLORWQEFYNMSJ-LURJTMIESA-N
XLogP-0.06
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]propanamide?
The IUPAC name of (2S)-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]propanamide (CID 40793477) is (2S)-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]propanamide.
What is the SMILES notation for (2S)-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]propanamide?
The canonical SMILES for (2S)-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]propanamide is Cc1[nH]ccc(=O)c1O[C@@H](C)C(N)=O.
What is the InChIKey of (2S)-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]propanamide?
The InChIKey is YXLORWQEFYNMSJ-LURJTMIESA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5-8(7(12)3-4-11-5)14-6(2)9(10)13/h3-4,6H,1-2H3,(H2,10,13)(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]propanamide?
(2S)-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]propanamide has a molecular weight of 196.21 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]propanamide is sourced from PubChem (CID 40793477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).