3-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]aniline

C16H18N4 — CID 39120445

IUPAC3-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]aniline
SMILESCN(C)Cc1c(-c2cccc(N)c2)nc2ccccn12
InChIInChI=1S/C16H18N4/c1-19(2)11-14-16(12-6-5-7-13(17)10-12)18-15-8-3-4-9-20(14)15/h3-10H,11,17H2,1-2H3
InChIKeyAABQUZBKRZVVMX-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.65
Rot. Bonds3

About 3-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]aniline

3-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]aniline (PubChem CID 39120445) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]aniline.

Molecular Properties

Compound Name3-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]aniline
PubChem CID39120445
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name3-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]aniline
SMILESCN(C)Cc1c(-c2cccc(N)c2)nc2ccccn12
InChIInChI=1S/C16H18N4/c1-19(2)11-14-16(12-6-5-7-13(17)10-12)18-15-8-3-4-9-20(14)15/h3-10H,11,17H2,1-2H3
InChIKeyAABQUZBKRZVVMX-UHFFFAOYSA-N
XLogP2.65
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[3-(diethylaminomethyl)-7-methylimidazo[1,2-a]pyridin-2-yl]aniline
CID 39120603
6-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-2-one;dihydrochloride
CID 13260229
4-[3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]aniline
CID 92858211
1-(3-methoxyphenyl)-N-methyl-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine
CID 30136620
3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121627
3-[2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
CID 165354942
(2-phenylimidazo[1,2-a]pyridin-3-yl)methanol
CID 15455971
3-(chloromethyl)-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine
CID 39132917
N,N,3-trimethyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 166067980
3-[3-(azepan-1-ylmethyl)-7-methylimidazo[1,2-a]pyridin-2-yl]aniline
CID 39120553
3-[[benzyl(methyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-6-amine
CID 39130256
2-(2-methoxyphenoxy)-N-methyl-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
CID 55868062

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]aniline?
The IUPAC name of 3-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]aniline (CID 39120445) is 3-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]aniline.
What is the SMILES notation for 3-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]aniline?
The canonical SMILES for 3-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]aniline is CN(C)Cc1c(-c2cccc(N)c2)nc2ccccn12.
What is the InChIKey of 3-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]aniline?
The InChIKey is AABQUZBKRZVVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-19(2)11-14-16(12-6-5-7-13(17)10-12)18-15-8-3-4-9-20(14)15/h3-10H,11,17H2,1-2H3.
What are the key properties of 3-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]aniline?
3-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]aniline has a molecular weight of 266.35 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]aniline is sourced from PubChem (CID 39120445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).