3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-3-ylpropanamide

C14H14N2O4 — CID 91637165

IUPAC3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-3-ylpropanamide
SMILESCc1cc(=O)c(O)c(C(CC(N)=O)c2cccnc2)o1
InChIInChI=1S/C14H14N2O4/c1-8-5-11(17)13(19)14(20-8)10(6-12(15)18)9-3-2-4-16-7-9/h2-5,7,10,19H,6H2,1H3,(H2,15,18)
InChIKeyABYKOSWPODEUAL-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.06
Rot. Bonds4

About 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-3-ylpropanamide

3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-3-ylpropanamide (PubChem CID 91637165) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-3-ylpropanamide
PubChem CID91637165
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-3-ylpropanamide
SMILESCc1cc(=O)c(O)c(C(CC(N)=O)c2cccnc2)o1
InChIInChI=1S/C14H14N2O4/c1-8-5-11(17)13(19)14(20-8)10(6-12(15)18)9-3-2-4-16-7-9/h2-5,7,10,19H,6H2,1H3,(H2,15,18)
InChIKeyABYKOSWPODEUAL-UHFFFAOYSA-N
XLogP1.06
TPSA106.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-3-ylpropanamide?
The IUPAC name of 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-3-ylpropanamide (CID 91637165) is 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-3-ylpropanamide?
The canonical SMILES for 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-3-ylpropanamide is Cc1cc(=O)c(O)c(C(CC(N)=O)c2cccnc2)o1.
What is the InChIKey of 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-3-ylpropanamide?
The InChIKey is ABYKOSWPODEUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-8-5-11(17)13(19)14(20-8)10(6-12(15)18)9-3-2-4-16-7-9/h2-5,7,10,19H,6H2,1H3,(H2,15,18).
What are the key properties of 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-3-ylpropanamide?
3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-3-ylpropanamide has a molecular weight of 274.28 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 91637165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).