6-[(4-ethoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile

C16H17N3O — CID 47135740

IUPAC6-[(4-ethoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile
SMILESCCOc1ccc(CN(C)c2ccc(C#N)cn2)cc1
InChIInChI=1S/C16H17N3O/c1-3-20-15-7-4-13(5-8-15)12-19(2)16-9-6-14(10-17)11-18-16/h4-9,11H,3,12H2,1-2H3
InChIKeyGXSROHLKCYGRGZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.99
Rot. Bonds5

About 6-[(4-ethoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile

6-[(4-ethoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile (PubChem CID 47135740) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-[(4-ethoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(4-ethoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile
PubChem CID47135740
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name6-[(4-ethoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile
SMILESCCOc1ccc(CN(C)c2ccc(C#N)cn2)cc1
InChIInChI=1S/C16H17N3O/c1-3-20-15-7-4-13(5-8-15)12-19(2)16-9-6-14(10-17)11-18-16/h4-9,11H,3,12H2,1-2H3
InChIKeyGXSROHLKCYGRGZ-UHFFFAOYSA-N
XLogP2.99
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile
CID 28799351
6-[benzyl(methyl)amino]pyridine-3-carbonitrile
CID 24690148
6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 133431107
5-[(4-cyanophenyl)methyl-methylamino]pyrazine-2-carbonitrile
CID 133290964
6-[(5-bromothiophen-2-yl)methyl-methylamino]pyridine-3-carbonitrile
CID 51301153
6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carbonitrile
CID 68862540
6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carbonitrile
CID 61397772
N-(5-cyano-2-pyridinyl)-2-ethyl-N-methylbutanamide
CID 115268044
6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115142987
4-[2-(4-ethoxyphenoxy)ethoxy]benzonitrile
CID 43213507
5-cyano-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 63718577
6-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carbonitrile
CID 55028427

Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(4-ethoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile (CID 47135740) is 6-[(4-ethoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(4-ethoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(4-ethoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile is CCOc1ccc(CN(C)c2ccc(C#N)cn2)cc1.
What is the InChIKey of 6-[(4-ethoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile?
The InChIKey is GXSROHLKCYGRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-3-20-15-7-4-13(5-8-15)12-19(2)16-9-6-14(10-17)11-18-16/h4-9,11H,3,12H2,1-2H3.
What are the key properties of 6-[(4-ethoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile?
6-[(4-ethoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 47135740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).