3-[(4-propanoylphenoxy)methyl]pyridine-2-carbonitrile

C16H14N2O2 — CID 62895615

IUPAC3-[(4-propanoylphenoxy)methyl]pyridine-2-carbonitrile
SMILESCCC(=O)c1ccc(OCc2cccnc2C#N)cc1
InChIInChI=1S/C16H14N2O2/c1-2-16(19)12-5-7-14(8-6-12)20-11-13-4-3-9-18-15(13)10-17/h3-9H,2,11H2,1H3
InChIKeyMYHKQIDEZJMSGU-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.12
Rot. Bonds5

About 3-[(4-propanoylphenoxy)methyl]pyridine-2-carbonitrile

3-[(4-propanoylphenoxy)methyl]pyridine-2-carbonitrile (PubChem CID 62895615) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[(4-propanoylphenoxy)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(4-propanoylphenoxy)methyl]pyridine-2-carbonitrile
PubChem CID62895615
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-[(4-propanoylphenoxy)methyl]pyridine-2-carbonitrile
SMILESCCC(=O)c1ccc(OCc2cccnc2C#N)cc1
InChIInChI=1S/C16H14N2O2/c1-2-16(19)12-5-7-14(8-6-12)20-11-13-4-3-9-18-15(13)10-17/h3-9H,2,11H2,1H3
InChIKeyMYHKQIDEZJMSGU-UHFFFAOYSA-N
XLogP3.12
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-[(1R)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63365521
3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 10036717
3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 62889971
3-[[4-(methylamino)phenoxy]methyl]pyridine-2-carbonitrile
CID 62894480
3-[[4-[(1S)-1-aminopropyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63367788
5-[(2-cyano-3-pyridinyl)methoxy]pyridine-3-carboxylic acid
CID 63852541
3-[[4-(3-chloroprop-1-ynyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62893274
3-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile
CID 62920781
3-[[4-(4-chlorobut-1-ynyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62894107
[4-[(2-cyano-3-pyridinyl)methoxy]-2-fluorophenyl]boronic acid
CID 65203522
1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one
CID 102855973
4-(4-propanoylphenoxy)benzonitrile
CID 103604232

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propanoylphenoxy)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(4-propanoylphenoxy)methyl]pyridine-2-carbonitrile (CID 62895615) is 3-[(4-propanoylphenoxy)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(4-propanoylphenoxy)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(4-propanoylphenoxy)methyl]pyridine-2-carbonitrile is CCC(=O)c1ccc(OCc2cccnc2C#N)cc1.
What is the InChIKey of 3-[(4-propanoylphenoxy)methyl]pyridine-2-carbonitrile?
The InChIKey is MYHKQIDEZJMSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-16(19)12-5-7-14(8-6-12)20-11-13-4-3-9-18-15(13)10-17/h3-9H,2,11H2,1H3.
What are the key properties of 3-[(4-propanoylphenoxy)methyl]pyridine-2-carbonitrile?
3-[(4-propanoylphenoxy)methyl]pyridine-2-carbonitrile has a molecular weight of 266.30 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propanoylphenoxy)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62895615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).