2-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile

C16H17N3O2 — CID 8900952

IUPAC2-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile
SMILESCOc1ccc(CCNc2ncccc2C#N)cc1OC
InChIInChI=1S/C16H17N3O2/c1-20-14-6-5-12(10-15(14)21-2)7-9-19-16-13(11-17)4-3-8-18-16/h3-6,8,10H,7,9H2,1-2H3,(H,18,19)
InChIKeySQJOFDOREZPAQN-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.63
Rot. Bonds6

About 2-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile

2-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile (PubChem CID 8900952) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile
PubChem CID8900952
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile
SMILESCOc1ccc(CCNc2ncccc2C#N)cc1OC
InChIInChI=1S/C16H17N3O2/c1-20-14-6-5-12(10-15(14)21-2)7-9-19-16-13(11-17)4-3-8-18-16/h3-6,8,10H,7,9H2,1-2H3,(H,18,19)
InChIKeySQJOFDOREZPAQN-UHFFFAOYSA-N
XLogP2.63
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile (CID 8900952) is 2-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile is COc1ccc(CCNc2ncccc2C#N)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is SQJOFDOREZPAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-20-14-6-5-12(10-15(14)21-2)7-9-19-16-13(11-17)4-3-8-18-16/h3-6,8,10H,7,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile?
2-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 283.33 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 8900952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).