2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carbonitrile

C16H16N2O2 — CID 61177256

IUPAC2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carbonitrile
SMILESCOc1ccc(COc2nc(C)cc(C)c2C#N)cc1
InChIInChI=1S/C16H16N2O2/c1-11-8-12(2)18-16(15(11)9-17)20-10-13-4-6-14(19-3)7-5-13/h4-8H,10H2,1-3H3
InChIKeyPTWGJCUDRJPMKD-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.16
Rot. Bonds4

About 2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carbonitrile

2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 61177256) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID61177256
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carbonitrile
SMILESCOc1ccc(COc2nc(C)cc(C)c2C#N)cc1
InChIInChI=1S/C16H16N2O2/c1-11-8-12(2)18-16(15(11)9-17)20-10-13-4-6-14(19-3)7-5-13/h4-8H,10H2,1-3H3
InChIKeyPTWGJCUDRJPMKD-UHFFFAOYSA-N
XLogP3.16
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4-methoxyphenyl)methoxy]-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 62291859
methyl 5-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxymethyl]furan-2-carboxylate
CID 891684
4,6-dimethyl-2-[2-(methylamino)ethoxy]pyridine-3-carbonitrile
CID 62349314
2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61176359
3-[(4-methoxyphenyl)methoxy]pyridazine-4-carbonitrile
CID 80509914
3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine
CID 67000104
2-[(4-methoxyphenyl)methoxy]-6-methylpyridin-3-amine
CID 81133075
2-(4-iodophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 61175544
2-[2-[di(propan-2-yl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile
CID 115505507
5-amino-3-[(4-methoxyphenyl)methoxy]-1-[(2-methylphenyl)methyl]pyrazole-4-carbonitrile
CID 100765549
2-[3-(dimethylamino)propoxy]-4,6-dimethylpyridine-3-carbonitrile
CID 61177452
6-methyl-4-phenylmethoxypyridine-2-carbonitrile
CID 130671911

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carbonitrile (CID 61177256) is 2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carbonitrile is COc1ccc(COc2nc(C)cc(C)c2C#N)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is PTWGJCUDRJPMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11-8-12(2)18-16(15(11)9-17)20-10-13-4-6-14(19-3)7-5-13/h4-8H,10H2,1-3H3.
What are the key properties of 2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carbonitrile?
2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 61177256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).