2-[[(3S)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropanoyl]amino]ethyl-dimethylazanium

C20H25N4O+ — CID 7301673

IUPAC2-[[(3S)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropanoyl]amino]ethyl-dimethylazanium
SMILESC[NH+](C)CCNC(=O)C[C@@H](c1ccccc1)c1cnc2ccccn12
InChIInChI=1S/C20H24N4O/c1-23(2)13-11-21-20(25)14-17(16-8-4-3-5-9-16)18-15-22-19-10-6-7-12-24(18)19/h3-10,12,15,17H,11,13-14H2,1-2H3,(H,21,25)/p+1/t17-/m0/s1
InChIKeyXMJYUXLYYVSUBL-KRWDZBQOSA-O
MW337.45 g/mol
LogP1.12
Rot. Bonds7

About 2-[[(3S)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropanoyl]amino]ethyl-dimethylazanium

2-[[(3S)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropanoyl]amino]ethyl-dimethylazanium (PubChem CID 7301673) has the molecular formula C20H25N4O+ and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-[[(3S)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropanoyl]amino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[[(3S)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropanoyl]amino]ethyl-dimethylazanium
PubChem CID7301673
Molecular FormulaC20H25N4O+
Molecular Weight337.45 g/mol
Exact Mass337.20
IUPAC Name2-[[(3S)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropanoyl]amino]ethyl-dimethylazanium
SMILESC[NH+](C)CCNC(=O)C[C@@H](c1ccccc1)c1cnc2ccccn12
InChIInChI=1S/C20H24N4O/c1-23(2)13-11-21-20(25)14-17(16-8-4-3-5-9-16)18-15-22-19-10-6-7-12-24(18)19/h3-10,12,15,17H,11,13-14H2,1-2H3,(H,21,25)/p+1/t17-/m0/s1
InChIKeyXMJYUXLYYVSUBL-KRWDZBQOSA-O
XLogP1.12
TPSA50.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-diphenylpropyl)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropanamide
CID 5074475
3-imidazo[1,2-a]pyridin-3-yl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 42782840
2-[[(3S)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoyl]amino]ethyl-dimethylazanium
CID 7332222
3-imidazo[1,2-a]pyridin-3-yl-3-(2-methoxyphenyl)-N-(2-phenylethyl)propanamide
CID 42782038
N-benzyl-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 4197390
N-[2-(2,4-dichlorophenyl)ethyl]-3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide
CID 4068487
1-(4-benzhydrylpiperazin-1-yl)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropan-1-one
CID 5058665
N-(3,4-dimethylphenyl)-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 3418425
3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-phenyl-N-(1-phenylethyl)propanamide
CID 4684372
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide
CID 42782043
3,3-diphenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 9291191
N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3,3-diphenylpropanamide
CID 60524723

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropanoyl]amino]ethyl-dimethylazanium?
The IUPAC name of 2-[[(3S)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropanoyl]amino]ethyl-dimethylazanium (CID 7301673) is 2-[[(3S)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropanoyl]amino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[[(3S)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropanoyl]amino]ethyl-dimethylazanium?
The canonical SMILES for 2-[[(3S)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropanoyl]amino]ethyl-dimethylazanium is C[NH+](C)CCNC(=O)C[C@@H](c1ccccc1)c1cnc2ccccn12.
What is the InChIKey of 2-[[(3S)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropanoyl]amino]ethyl-dimethylazanium?
The InChIKey is XMJYUXLYYVSUBL-KRWDZBQOSA-O. The full InChI is InChI=1S/C20H24N4O/c1-23(2)13-11-21-20(25)14-17(16-8-4-3-5-9-16)18-15-22-19-10-6-7-12-24(18)19/h3-10,12,15,17H,11,13-14H2,1-2H3,(H,21,25)/p+1/t17-/m0/s1.
What are the key properties of 2-[[(3S)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropanoyl]amino]ethyl-dimethylazanium?
2-[[(3S)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropanoyl]amino]ethyl-dimethylazanium has a molecular weight of 337.45 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropanoyl]amino]ethyl-dimethylazanium is sourced from PubChem (CID 7301673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).