4-[benzyl-[2-(dimethylamino)ethyl]amino]-2-(dimethylamino)pyridine-3-carbonitrile

C19H25N5 — CID 755483

IUPAC4-[benzyl-[2-(dimethylamino)ethyl]amino]-2-(dimethylamino)pyridine-3-carbonitrile
SMILESCN(C)CCN(Cc1ccccc1)c1ccnc(N(C)C)c1C#N
InChIInChI=1S/C19H25N5/c1-22(2)12-13-24(15-16-8-6-5-7-9-16)18-10-11-21-19(23(3)4)17(18)14-20/h5-11H,12-13,15H2,1-4H3
InChIKeyUWCHZLHBUCHJFR-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.59
Rot. Bonds7

About 4-[benzyl-[2-(dimethylamino)ethyl]amino]-2-(dimethylamino)pyridine-3-carbonitrile

4-[benzyl-[2-(dimethylamino)ethyl]amino]-2-(dimethylamino)pyridine-3-carbonitrile (PubChem CID 755483) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-[benzyl-[2-(dimethylamino)ethyl]amino]-2-(dimethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[benzyl-[2-(dimethylamino)ethyl]amino]-2-(dimethylamino)pyridine-3-carbonitrile
PubChem CID755483
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name4-[benzyl-[2-(dimethylamino)ethyl]amino]-2-(dimethylamino)pyridine-3-carbonitrile
SMILESCN(C)CCN(Cc1ccccc1)c1ccnc(N(C)C)c1C#N
InChIInChI=1S/C19H25N5/c1-22(2)12-13-24(15-16-8-6-5-7-9-16)18-10-11-21-19(23(3)4)17(18)14-20/h5-11H,12-13,15H2,1-4H3
InChIKeyUWCHZLHBUCHJFR-UHFFFAOYSA-N
XLogP2.59
TPSA46.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[benzyl-[2-(dimethylamino)ethyl]amino]-2-(dimethylamino)pyridine-3-carbonitrile?
The IUPAC name of 4-[benzyl-[2-(dimethylamino)ethyl]amino]-2-(dimethylamino)pyridine-3-carbonitrile (CID 755483) is 4-[benzyl-[2-(dimethylamino)ethyl]amino]-2-(dimethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 4-[benzyl-[2-(dimethylamino)ethyl]amino]-2-(dimethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 4-[benzyl-[2-(dimethylamino)ethyl]amino]-2-(dimethylamino)pyridine-3-carbonitrile is CN(C)CCN(Cc1ccccc1)c1ccnc(N(C)C)c1C#N.
What is the InChIKey of 4-[benzyl-[2-(dimethylamino)ethyl]amino]-2-(dimethylamino)pyridine-3-carbonitrile?
The InChIKey is UWCHZLHBUCHJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-22(2)12-13-24(15-16-8-6-5-7-9-16)18-10-11-21-19(23(3)4)17(18)14-20/h5-11H,12-13,15H2,1-4H3.
What are the key properties of 4-[benzyl-[2-(dimethylamino)ethyl]amino]-2-(dimethylamino)pyridine-3-carbonitrile?
4-[benzyl-[2-(dimethylamino)ethyl]amino]-2-(dimethylamino)pyridine-3-carbonitrile has a molecular weight of 323.44 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl-[2-(dimethylamino)ethyl]amino]-2-(dimethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 755483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).