3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzonitrile

C19H25N5 — CID 91808026

IUPAC3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzonitrile
SMILESCNCCN(C)c1cc(C#N)cc(CCc2cc(C)cc(N)n2)c1
InChIInChI=1S/C19H25N5/c1-14-8-17(23-19(21)9-14)5-4-15-10-16(13-20)12-18(11-15)24(3)7-6-22-2/h8-12,22H,4-7H2,1-3H3,(H2,21,23)
InChIKeyRYFZEWNGJTVNMY-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.28
Rot. Bonds7

About 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzonitrile

3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzonitrile (PubChem CID 91808026) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzonitrile.

Molecular Properties

Compound Name3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzonitrile
PubChem CID91808026
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzonitrile
SMILESCNCCN(C)c1cc(C#N)cc(CCc2cc(C)cc(N)n2)c1
InChIInChI=1S/C19H25N5/c1-14-8-17(23-19(21)9-14)5-4-15-10-16(13-20)12-18(11-15)24(3)7-6-22-2/h8-12,22H,4-7H2,1-3H3,(H2,21,23)
InChIKeyRYFZEWNGJTVNMY-UHFFFAOYSA-N
XLogP2.28
TPSA77.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzonitrile?
The IUPAC name of 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzonitrile (CID 91808026) is 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzonitrile.
What is the SMILES notation for 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzonitrile?
The canonical SMILES for 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzonitrile is CNCCN(C)c1cc(C#N)cc(CCc2cc(C)cc(N)n2)c1.
What is the InChIKey of 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzonitrile?
The InChIKey is RYFZEWNGJTVNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-14-8-17(23-19(21)9-14)5-4-15-10-16(13-20)12-18(11-15)24(3)7-6-22-2/h8-12,22H,4-7H2,1-3H3,(H2,21,23).
What are the key properties of 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzonitrile?
3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzonitrile has a molecular weight of 323.44 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzonitrile is sourced from PubChem (CID 91808026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).