6-[(4-bromophenyl)methyl-[2-(dimethylamino)ethyl]amino]pyridine-2-carbonitrile

C17H19BrN4 — CID 133416591

IUPAC6-[(4-bromophenyl)methyl-[2-(dimethylamino)ethyl]amino]pyridine-2-carbonitrile
SMILESCN(C)CCN(Cc1ccc(Br)cc1)c1cccc(C#N)n1
InChIInChI=1S/C17H19BrN4/c1-21(2)10-11-22(13-14-6-8-15(18)9-7-14)17-5-3-4-16(12-19)20-17/h3-9H,10-11,13H2,1-2H3
InChIKeyDGUCRFYRHBWOLZ-UHFFFAOYSA-N
MW359.27 g/mol
LogP3.28
Rot. Bonds6

About 6-[(4-bromophenyl)methyl-[2-(dimethylamino)ethyl]amino]pyridine-2-carbonitrile

6-[(4-bromophenyl)methyl-[2-(dimethylamino)ethyl]amino]pyridine-2-carbonitrile (PubChem CID 133416591) has the molecular formula C17H19BrN4 and a molecular weight of 359.27 g/mol. Its IUPAC name is 6-[(4-bromophenyl)methyl-[2-(dimethylamino)ethyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(4-bromophenyl)methyl-[2-(dimethylamino)ethyl]amino]pyridine-2-carbonitrile
PubChem CID133416591
Molecular FormulaC17H19BrN4
Molecular Weight359.27 g/mol
Exact Mass358.08
IUPAC Name6-[(4-bromophenyl)methyl-[2-(dimethylamino)ethyl]amino]pyridine-2-carbonitrile
SMILESCN(C)CCN(Cc1ccc(Br)cc1)c1cccc(C#N)n1
InChIInChI=1S/C17H19BrN4/c1-21(2)10-11-22(13-14-6-8-15(18)9-7-14)17-5-3-4-16(12-19)20-17/h3-9H,10-11,13H2,1-2H3
InChIKeyDGUCRFYRHBWOLZ-UHFFFAOYSA-N
XLogP3.28
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromophenyl)methyl-[2-(dimethylamino)ethyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[(4-bromophenyl)methyl-[2-(dimethylamino)ethyl]amino]pyridine-2-carbonitrile (CID 133416591) is 6-[(4-bromophenyl)methyl-[2-(dimethylamino)ethyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(4-bromophenyl)methyl-[2-(dimethylamino)ethyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(4-bromophenyl)methyl-[2-(dimethylamino)ethyl]amino]pyridine-2-carbonitrile is CN(C)CCN(Cc1ccc(Br)cc1)c1cccc(C#N)n1.
What is the InChIKey of 6-[(4-bromophenyl)methyl-[2-(dimethylamino)ethyl]amino]pyridine-2-carbonitrile?
The InChIKey is DGUCRFYRHBWOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4/c1-21(2)10-11-22(13-14-6-8-15(18)9-7-14)17-5-3-4-16(12-19)20-17/h3-9H,10-11,13H2,1-2H3.
What are the key properties of 6-[(4-bromophenyl)methyl-[2-(dimethylamino)ethyl]amino]pyridine-2-carbonitrile?
6-[(4-bromophenyl)methyl-[2-(dimethylamino)ethyl]amino]pyridine-2-carbonitrile has a molecular weight of 359.27 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromophenyl)methyl-[2-(dimethylamino)ethyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 133416591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).