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

C14H14N2O4 — CID 91636907

IUPAC3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-4-ylpropanamide
SMILESCc1cc(=O)c(O)c(C(CC(N)=O)c2ccncc2)o1
InChIInChI=1S/C14H14N2O4/c1-8-6-11(17)13(19)14(20-8)10(7-12(15)18)9-2-4-16-5-3-9/h2-6,10,19H,7H2,1H3,(H2,15,18)
InChIKeyMHVWWFHGRIEVIX-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.06
Rot. Bonds4

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

3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-4-ylpropanamide (PubChem CID 91636907) 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-4-ylpropanamide.

Molecular Properties

Compound Name3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-4-ylpropanamide
PubChem CID91636907
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-4-ylpropanamide
SMILESCc1cc(=O)c(O)c(C(CC(N)=O)c2ccncc2)o1
InChIInChI=1S/C14H14N2O4/c1-8-6-11(17)13(19)14(20-8)10(7-12(15)18)9-2-4-16-5-3-9/h2-6,10,19H,7H2,1H3,(H2,15,18)
InChIKeyMHVWWFHGRIEVIX-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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Related Compounds

methyl 3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-(pyridin-3-yl)propanoate
CID 71826619
3-Hydroxy-3-methyl-4-pyridin-4-ylpentan-2-one
CID 20716424
1-(6-Amino-5-methoxy-6-pyridin-4-ylcyclohexa-2,4-dien-1-yl)ethanone;hydrochloride
CID 69885570
2-Hydroxy-3-pyridin-4-ylpropanamide
CID 153405682
3-(2-Bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide
CID 159611447
4-hydroxy-3-[(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-pyridin-4-ylmethyl]-6-methyl-1H-pyridin-2-one
CID 54677316
1-(6-Amino-5-methoxy-6-pyridin-4-ylcyclohexa-2,4-dien-1-yl)ethanone
CID 69885571
3-hydroxy-6-methyl-2-(3-morpholino-3-oxo-1-(pyridin-3-yl)propyl)-4H-pyran-4-one
CID 71826974
3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-(pyridin-3-yl)propanamide
CID 91637165
methyl 3-(3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)-4H-pyran-2-yl)-3-(pyridin-4-yl)propanoate
CID 91637180
methyl 3-(3-hydroxy-6-(morpholinomethyl)-4-oxo-4H-pyran-2-yl)-3-(pyridin-4-yl)propanoate
CID 91639428
ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(pyridin-4-yl)propanoate
CID 91972659

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-4-ylpropanamide?
The IUPAC name of 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-4-ylpropanamide (CID 91636907) is 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-4-ylpropanamide?
The canonical SMILES for 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-4-ylpropanamide is Cc1cc(=O)c(O)c(C(CC(N)=O)c2ccncc2)o1.
What is the InChIKey of 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-4-ylpropanamide?
The InChIKey is MHVWWFHGRIEVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-8-6-11(17)13(19)14(20-8)10(7-12(15)18)9-2-4-16-5-3-9/h2-6,10,19H,7H2,1H3,(H2,15,18).
What are the key properties of 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-4-ylpropanamide?
3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-4-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-4-ylpropanamide is sourced from PubChem (CID 91636907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).