(3S)-6-(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)-3-methyl-2,3-dihydropyran-4-one

C16H17NO3 — CID 170989401

IUPAC(3S)-6-(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)-3-methyl-2,3-dihydropyran-4-one
SMILESC[C@H]1COC(c2cc3c(cn2)OC(C)(C)C=C3)=CC1=O
InChIInChI=1S/C16H17NO3/c1-10-9-19-14(7-13(10)18)12-6-11-4-5-16(2,3)20-15(11)8-17-12/h4-8,10H,9H2,1-3H3/t10-/m0/s1
InChIKeyLFXHMJAPOGYIOY-JTQLQIEISA-N
MW271.32 g/mol
LogP2.84
Rot. Bonds1

About (3S)-6-(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)-3-methyl-2,3-dihydropyran-4-one

(3S)-6-(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)-3-methyl-2,3-dihydropyran-4-one (PubChem CID 170989401) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (3S)-6-(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)-3-methyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(3S)-6-(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)-3-methyl-2,3-dihydropyran-4-one
PubChem CID170989401
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(3S)-6-(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)-3-methyl-2,3-dihydropyran-4-one
SMILESC[C@H]1COC(c2cc3c(cn2)OC(C)(C)C=C3)=CC1=O
InChIInChI=1S/C16H17NO3/c1-10-9-19-14(7-13(10)18)12-6-11-4-5-16(2,3)20-15(11)8-17-12/h4-8,10H,9H2,1-3H3/t10-/m0/s1
InChIKeyLFXHMJAPOGYIOY-JTQLQIEISA-N
XLogP2.84
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-6-(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)-3-methyl-2,3-dihydropyran-4-one with MolForge

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Launch Full Analysis

Related Compounds

1-(3-Methylbutyl)-4-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile
CID 70685766
6-Methylpyridin-3-yl 4-butoxybenzoate
CID 3245584
(E)-4-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)but-3-en-2-one
CID 145991459
4H-Pyrano(3,2-b)pyridin-4-one, 2-phenyl-
CID 3047503
2H,3H,4H-pyrano(2,3-c)pyridin-4-one
CID 131261802
N,N,N-trimethyl-2-(6-phenethylpyridin-3-yloxy)ethanaminium
CID 44414660
N,N,N-trimethyl-2-(6-styrylpyridin-3-yloxy)ethanaminium
CID 44414669
(E)-4-(8-methylspiro[4H-[1,3]dioxino[4,5-c]pyridine-2,1'-cyclohexane]-5-yl)but-3-en-2-one
CID 145994189
3-Methoxy-2-propan-2-yl-5-(pyridin-3-yloxymethyl)cyclohexa-2,5-diene-1,4-dione
CID 122183892
4H-Pyrano(3,2-b)pyridin-4-one, 2-(4-methylphenyl)-
CID 3073320
Silver Halide Solv HS103
CID 6446517
1-[3-(Benzyloxy)pyridin-2-yl]ethan-1-one
CID 20585174

Frequently Asked Questions

What is the IUPAC name of (3S)-6-(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)-3-methyl-2,3-dihydropyran-4-one?
The IUPAC name of (3S)-6-(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)-3-methyl-2,3-dihydropyran-4-one (CID 170989401) is (3S)-6-(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)-3-methyl-2,3-dihydropyran-4-one.
What is the SMILES notation for (3S)-6-(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)-3-methyl-2,3-dihydropyran-4-one?
The canonical SMILES for (3S)-6-(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)-3-methyl-2,3-dihydropyran-4-one is C[C@H]1COC(c2cc3c(cn2)OC(C)(C)C=C3)=CC1=O.
What is the InChIKey of (3S)-6-(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)-3-methyl-2,3-dihydropyran-4-one?
The InChIKey is LFXHMJAPOGYIOY-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17NO3/c1-10-9-19-14(7-13(10)18)12-6-11-4-5-16(2,3)20-15(11)8-17-12/h4-8,10H,9H2,1-3H3/t10-/m0/s1.
What are the key properties of (3S)-6-(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)-3-methyl-2,3-dihydropyran-4-one?
(3S)-6-(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)-3-methyl-2,3-dihydropyran-4-one has a molecular weight of 271.32 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)-3-methyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 170989401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).