3-amino-6-[(2-bromophenyl)methyl-methylamino]pyridine-2-carbonitrile

C14H13BrN4 — CID 103467785

IUPAC3-amino-6-[(2-bromophenyl)methyl-methylamino]pyridine-2-carbonitrile
SMILESCN(Cc1ccccc1Br)c1ccc(N)c(C#N)n1
InChIInChI=1S/C14H13BrN4/c1-19(9-10-4-2-3-5-11(10)15)14-7-6-12(17)13(8-16)18-14/h2-7H,9,17H2,1H3
InChIKeyLCHGVSAICJQZNV-UHFFFAOYSA-N
MW317.19 g/mol
LogP2.93
Rot. Bonds3

About 3-amino-6-[(2-bromophenyl)methyl-methylamino]pyridine-2-carbonitrile

3-amino-6-[(2-bromophenyl)methyl-methylamino]pyridine-2-carbonitrile (PubChem CID 103467785) has the molecular formula C14H13BrN4 and a molecular weight of 317.19 g/mol. Its IUPAC name is 3-amino-6-[(2-bromophenyl)methyl-methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[(2-bromophenyl)methyl-methylamino]pyridine-2-carbonitrile
PubChem CID103467785
Molecular FormulaC14H13BrN4
Molecular Weight317.19 g/mol
Exact Mass316.03
IUPAC Name3-amino-6-[(2-bromophenyl)methyl-methylamino]pyridine-2-carbonitrile
SMILESCN(Cc1ccccc1Br)c1ccc(N)c(C#N)n1
InChIInChI=1S/C14H13BrN4/c1-19(9-10-4-2-3-5-11(10)15)14-7-6-12(17)13(8-16)18-14/h2-7H,9,17H2,1H3
InChIKeyLCHGVSAICJQZNV-UHFFFAOYSA-N
XLogP2.93
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-6-[(2-bromophenyl)methyl-methylamino]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-[(2-bromophenyl)methyl-methylamino]benzonitrile
CID 115499199
6-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine
CID 63962798
2-N-[2-(2-bromophenyl)ethyl]-2-N,6-dimethylpyridine-2,5-diamine
CID 115147784
2-[(5-amino-6-cyano-2-pyridinyl)-methylamino]acetamide
CID 103467544
3-amino-6-[(3-hydroxycyclobutyl)methyl-methylamino]pyridine-2-carbonitrile
CID 103468682
4-N-[(2-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794402
N-[(2-bromophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine
CID 62292840
[6-[(2-bromophenyl)methyl-methylamino]-3-chloro-2-pyridinyl]methanol
CID 61416679
2-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylacetamide
CID 103467546
3-amino-6-[methyl(pentan-3-yl)amino]pyridine-2-carbonitrile
CID 103467619
3-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 106914232
4-N-[(2-bromophenyl)methyl]-4-N-methylpyridine-3,4-diamine
CID 61358641

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[(2-bromophenyl)methyl-methylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-[(2-bromophenyl)methyl-methylamino]pyridine-2-carbonitrile (CID 103467785) is 3-amino-6-[(2-bromophenyl)methyl-methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[(2-bromophenyl)methyl-methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[(2-bromophenyl)methyl-methylamino]pyridine-2-carbonitrile is CN(Cc1ccccc1Br)c1ccc(N)c(C#N)n1.
What is the InChIKey of 3-amino-6-[(2-bromophenyl)methyl-methylamino]pyridine-2-carbonitrile?
The InChIKey is LCHGVSAICJQZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4/c1-19(9-10-4-2-3-5-11(10)15)14-7-6-12(17)13(8-16)18-14/h2-7H,9,17H2,1H3.
What are the key properties of 3-amino-6-[(2-bromophenyl)methyl-methylamino]pyridine-2-carbonitrile?
3-amino-6-[(2-bromophenyl)methyl-methylamino]pyridine-2-carbonitrile has a molecular weight of 317.19 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[(2-bromophenyl)methyl-methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 103467785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).