ethyl 3-[methyl-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]amino]propanoate

C17H23N3O3 — CID 84561935

IUPACethyl 3-[methyl-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]amino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)CCc1c(C)nc2ccccn12
InChIInChI=1S/C17H23N3O3/c1-4-23-17(22)10-12-19(3)16(21)9-8-14-13(2)18-15-7-5-6-11-20(14)15/h5-7,11H,4,8-10,12H2,1-3H3
InChIKeyDTUXKQKDJIVFCB-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.99
Rot. Bonds7

About ethyl 3-[methyl-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]amino]propanoate

ethyl 3-[methyl-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]amino]propanoate (PubChem CID 84561935) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is ethyl 3-[methyl-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[methyl-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]amino]propanoate
PubChem CID84561935
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Nameethyl 3-[methyl-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]amino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)CCc1c(C)nc2ccccn12
InChIInChI=1S/C17H23N3O3/c1-4-23-17(22)10-12-19(3)16(21)9-8-14-13(2)18-15-7-5-6-11-20(14)15/h5-7,11H,4,8-10,12H2,1-3H3
InChIKeyDTUXKQKDJIVFCB-UHFFFAOYSA-N
XLogP1.99
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]amino]propanoic acid
CID 84567691
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N,N-bis(2-methylpropyl)propanamide
CID 84565205
ethyl 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate
CID 64580281
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N,N-bis(prop-2-enyl)propanamide
CID 84565916
ethyl 1-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]piperidine-3-carboxylate
CID 84565211
N-[4-(dimethylamino)butyl]-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 84565905
ethyl 3-[3-indol-1-ylpropanoyl(methyl)amino]propanoate
CID 84557932
3-(2-methoxyethyl)-2-methylimidazo[1,2-a]pyridine
CID 130909325
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
CID 52988808
N-(3-methoxypropyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 84565197
N-(4-ethylphenyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 84569581
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 84569535

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[methyl-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]amino]propanoate?
The IUPAC name of ethyl 3-[methyl-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]amino]propanoate (CID 84561935) is ethyl 3-[methyl-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[methyl-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]amino]propanoate?
The canonical SMILES for ethyl 3-[methyl-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]amino]propanoate is CCOC(=O)CCN(C)C(=O)CCc1c(C)nc2ccccn12.
What is the InChIKey of ethyl 3-[methyl-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]amino]propanoate?
The InChIKey is DTUXKQKDJIVFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-4-23-17(22)10-12-19(3)16(21)9-8-14-13(2)18-15-7-5-6-11-20(14)15/h5-7,11H,4,8-10,12H2,1-3H3.
What are the key properties of ethyl 3-[methyl-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]amino]propanoate?
ethyl 3-[methyl-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]amino]propanoate has a molecular weight of 317.39 g/mol, XLogP of 1.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[methyl-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]amino]propanoate is sourced from PubChem (CID 84561935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).