3-bromo-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]benzonitrile

C16H13BrN4 — CID 43786518

IUPAC3-bromo-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]benzonitrile
SMILESCc1nc2ccccn2c1CNc1ccc(C#N)cc1Br
InChIInChI=1S/C16H13BrN4/c1-11-15(21-7-3-2-4-16(21)20-11)10-19-14-6-5-12(9-18)8-13(14)17/h2-8,19H,10H2,1H3
InChIKeyQKYVURBPDFQLGT-UHFFFAOYSA-N
MW341.21 g/mol
LogP3.89
Rot. Bonds3

About 3-bromo-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]benzonitrile

3-bromo-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]benzonitrile (PubChem CID 43786518) has the molecular formula C16H13BrN4 and a molecular weight of 341.21 g/mol. Its IUPAC name is 3-bromo-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]benzonitrile.

Molecular Properties

Compound Name3-bromo-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]benzonitrile
PubChem CID43786518
Molecular FormulaC16H13BrN4
Molecular Weight341.21 g/mol
Exact Mass340.03
IUPAC Name3-bromo-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]benzonitrile
SMILESCc1nc2ccccn2c1CNc1ccc(C#N)cc1Br
InChIInChI=1S/C16H13BrN4/c1-11-15(21-7-3-2-4-16(21)20-11)10-19-14-6-5-12(9-18)8-13(14)17/h2-8,19H,10H2,1H3
InChIKeyQKYVURBPDFQLGT-UHFFFAOYSA-N
XLogP3.89
TPSA53.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-fluoro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 43772487
4-bromo-2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 43758785
3-bromo-4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylamino]benzonitrile
CID 107789467
2,4,5-trichloro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 43759055
4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzonitrile;hydrochloride
CID 19032464
2-ethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 43764503
2-fluoro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 43763308
3-bromo-4-(isoquinolin-4-ylmethylamino)benzonitrile
CID 104503865
5-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-3-amine
CID 103823924
6-bromo-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-3-amine
CID 103934296
3-bromo-4-[(2,4,5-trimethylphenyl)methylamino]benzonitrile
CID 43786547
3-bromo-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]benzonitrile
CID 107789978

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]benzonitrile?
The IUPAC name of 3-bromo-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]benzonitrile (CID 43786518) is 3-bromo-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]benzonitrile.
What is the SMILES notation for 3-bromo-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]benzonitrile?
The canonical SMILES for 3-bromo-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]benzonitrile is Cc1nc2ccccn2c1CNc1ccc(C#N)cc1Br.
What is the InChIKey of 3-bromo-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]benzonitrile?
The InChIKey is QKYVURBPDFQLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4/c1-11-15(21-7-3-2-4-16(21)20-11)10-19-14-6-5-12(9-18)8-13(14)17/h2-8,19H,10H2,1H3.
What are the key properties of 3-bromo-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]benzonitrile?
3-bromo-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]benzonitrile has a molecular weight of 341.21 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]benzonitrile is sourced from PubChem (CID 43786518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).