3-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline

C21H26N4 — CID 82028938

IUPAC3-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline
SMILESCc1ccc2nc(-c3cccc(N)c3)c(CN3CCCCC3C)n2c1
InChIInChI=1S/C21H26N4/c1-15-9-10-20-23-21(17-7-5-8-18(22)12-17)19(25(20)13-15)14-24-11-4-3-6-16(24)2/h5,7-10,12-13,16H,3-4,6,11,14,22H2,1-2H3
InChIKeyKNEOVQYIGHHMDO-UHFFFAOYSA-N
MW334.47 g/mol
LogP4.27
Rot. Bonds3

About 3-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline

3-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline (PubChem CID 82028938) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 3-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline.

Molecular Properties

Compound Name3-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline
PubChem CID82028938
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name3-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline
SMILESCc1ccc2nc(-c3cccc(N)c3)c(CN3CCCCC3C)n2c1
InChIInChI=1S/C21H26N4/c1-15-9-10-20-23-21(17-7-5-8-18(22)12-17)19(25(20)13-15)14-24-11-4-3-6-16(24)2/h5,7-10,12-13,16H,3-4,6,11,14,22H2,1-2H3
InChIKeyKNEOVQYIGHHMDO-UHFFFAOYSA-N
XLogP4.27
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 54.27
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

2-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82028873
3-[3-(azepan-1-ylmethyl)-7-methylimidazo[1,2-a]pyridin-2-yl]aniline
CID 39120553
2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-amine
CID 165344231
1-[[6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2759949
2-(3-methoxyphenyl)-6-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2759685
6-methyl-2-(3-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617091
N-cyclohexyl-6-methyl-2-(3-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 809077
2-(3-chlorophenyl)-3-[(3-chlorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine
CID 51359989
5-[(2-methylpiperidin-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 138638550
3-[5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]aniline
CID 82020398
[2-(3-ethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 144974815
(3S)-3-[4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
CID 30693470

Frequently Asked Questions

What is the IUPAC name of 3-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline?
The IUPAC name of 3-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline (CID 82028938) is 3-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline.
What is the SMILES notation for 3-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline?
The canonical SMILES for 3-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline is Cc1ccc2nc(-c3cccc(N)c3)c(CN3CCCCC3C)n2c1.
What is the InChIKey of 3-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline?
The InChIKey is KNEOVQYIGHHMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-15-9-10-20-23-21(17-7-5-8-18(22)12-17)19(25(20)13-15)14-24-11-4-3-6-16(24)2/h5,7-10,12-13,16H,3-4,6,11,14,22H2,1-2H3.
What are the key properties of 3-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline?
3-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline has a molecular weight of 334.47 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline is sourced from PubChem (CID 82028938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).