2-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]benzonitrile

C16H18N4 — CID 83128047

IUPAC2-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]benzonitrile
SMILESCNC(C)c1ccc(N(C)c2ccccc2C#N)cn1
InChIInChI=1S/C16H18N4/c1-12(18-2)15-9-8-14(11-19-15)20(3)16-7-5-4-6-13(16)10-17/h4-9,11-12,18H,1-3H3
InChIKeyFCJIYINSKWTGDT-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.00
Rot. Bonds4

About 2-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]benzonitrile

2-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]benzonitrile (PubChem CID 83128047) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]benzonitrile.

Molecular Properties

Compound Name2-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]benzonitrile
PubChem CID83128047
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name2-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]benzonitrile
SMILESCNC(C)c1ccc(N(C)c2ccccc2C#N)cn1
InChIInChI=1S/C16H18N4/c1-12(18-2)15-9-8-14(11-19-15)20(3)16-7-5-4-6-13(16)10-17/h4-9,11-12,18H,1-3H3
InChIKeyFCJIYINSKWTGDT-UHFFFAOYSA-N
XLogP3.00
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]benzonitrile?
The IUPAC name of 2-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]benzonitrile (CID 83128047) is 2-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]benzonitrile.
What is the SMILES notation for 2-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]benzonitrile?
The canonical SMILES for 2-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]benzonitrile is CNC(C)c1ccc(N(C)c2ccccc2C#N)cn1.
What is the InChIKey of 2-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]benzonitrile?
The InChIKey is FCJIYINSKWTGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-12(18-2)15-9-8-14(11-19-15)20(3)16-7-5-4-6-13(16)10-17/h4-9,11-12,18H,1-3H3.
What are the key properties of 2-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]benzonitrile?
2-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]benzonitrile has a molecular weight of 266.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]benzonitrile is sourced from PubChem (CID 83128047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).