2-[(1R,3R)-1-cyano-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]oxybenzonitrile

C19H17N3O2 — CID 95580102

IUPAC2-[(1R,3R)-1-cyano-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]oxybenzonitrile
SMILESCC(C)[C@@H](Oc1ccccc1C#N)C(=O)[C@@H](C#N)c1ccccn1
InChIInChI=1S/C19H17N3O2/c1-13(2)19(24-17-9-4-3-7-14(17)11-20)18(23)15(12-21)16-8-5-6-10-22-16/h3-10,13,15,19H,1-2H3/t15-,19+/m0/s1
InChIKeyKRNXODPZXNGMMO-HNAYVOBHSA-N
MW319.36 g/mol
LogP3.23
Rot. Bonds6

About 2-[(1R,3R)-1-cyano-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]oxybenzonitrile

2-[(1R,3R)-1-cyano-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]oxybenzonitrile (PubChem CID 95580102) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-[(1R,3R)-1-cyano-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]oxybenzonitrile.

Molecular Properties

Compound Name2-[(1R,3R)-1-cyano-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]oxybenzonitrile
PubChem CID95580102
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-[(1R,3R)-1-cyano-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]oxybenzonitrile
SMILESCC(C)[C@@H](Oc1ccccc1C#N)C(=O)[C@@H](C#N)c1ccccn1
InChIInChI=1S/C19H17N3O2/c1-13(2)19(24-17-9-4-3-7-14(17)11-20)18(23)15(12-21)16-8-5-6-10-22-16/h3-10,13,15,19H,1-2H3/t15-,19+/m0/s1
InChIKeyKRNXODPZXNGMMO-HNAYVOBHSA-N
XLogP3.23
TPSA86.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(1R,3R)-1-cyano-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]oxybenzonitrile with MolForge

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Related Compounds

pyridin-2-ylmethyl (2S)-2-(2-cyanophenoxy)-3-methylbutanoate
CID 95581106
(2S,4S)-4-(2,6-dichlorophenyl)-3-oxo-2-pyridin-2-ylpentanenitrile
CID 95619124
3-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 84593922
methyl 3-cyano-2-oxo-3-pyridin-2-ylpropanoate
CID 3528141
S-[(3S)-3-cyano-2-oxo-3-pyridin-2-ylpropyl] ethanethioate
CID 41038214
2-(2-cyanophenoxy)-3-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]butanamide
CID 55941076
2-(1-cyanoethoxy)benzonitrile
CID 60644293
2-(2-cyanophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylbutanamide
CID 56552764
(2R)-3-(4-methoxy-3-phenylphenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 94409297
3-(1-methylcyclopentyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 78908797
3-naphthalen-2-yl-3-oxo-2-pyridin-2-ylpropanenitrile
CID 78908818
(2S)-3-oxo-3-(3-phenoxyphenyl)-2-pyridin-2-ylpropanenitrile
CID 40647060

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3R)-1-cyano-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]oxybenzonitrile?
The IUPAC name of 2-[(1R,3R)-1-cyano-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]oxybenzonitrile (CID 95580102) is 2-[(1R,3R)-1-cyano-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]oxybenzonitrile.
What is the SMILES notation for 2-[(1R,3R)-1-cyano-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]oxybenzonitrile?
The canonical SMILES for 2-[(1R,3R)-1-cyano-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]oxybenzonitrile is CC(C)[C@@H](Oc1ccccc1C#N)C(=O)[C@@H](C#N)c1ccccn1.
What is the InChIKey of 2-[(1R,3R)-1-cyano-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]oxybenzonitrile?
The InChIKey is KRNXODPZXNGMMO-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-13(2)19(24-17-9-4-3-7-14(17)11-20)18(23)15(12-21)16-8-5-6-10-22-16/h3-10,13,15,19H,1-2H3/t15-,19+/m0/s1.
What are the key properties of 2-[(1R,3R)-1-cyano-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]oxybenzonitrile?
2-[(1R,3R)-1-cyano-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]oxybenzonitrile has a molecular weight of 319.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3R)-1-cyano-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]oxybenzonitrile is sourced from PubChem (CID 95580102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).