methyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate

C18H20N2O4 — CID 2948564

IUPACmethyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate
SMILESCCOc1ccccc1C(=O)N(CCC(=O)OC)c1ccccn1
InChIInChI=1S/C18H20N2O4/c1-3-24-15-9-5-4-8-14(15)18(22)20(13-11-17(21)23-2)16-10-6-7-12-19-16/h4-10,12H,3,11,13H2,1-2H3
InChIKeyUYHOCGIOQIMWIC-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.69
Rot. Bonds7

About methyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate

methyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate (PubChem CID 2948564) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate
PubChem CID2948564
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Namemethyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate
SMILESCCOc1ccccc1C(=O)N(CCC(=O)OC)c1ccccn1
InChIInChI=1S/C18H20N2O4/c1-3-24-15-9-5-4-8-14(15)18(22)20(13-11-17(21)23-2)16-10-6-7-12-19-16/h4-10,12H,3,11,13H2,1-2H3
InChIKeyUYHOCGIOQIMWIC-UHFFFAOYSA-N
XLogP2.69
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(2-Ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 891438
3-Chloro-4-[4-(4-pyridin-2-yl-piperazin-1-yl)-butyl]-4H-benzo[f][1,4]oxazepin-5-one
CID 15490956
N-benzyl-2-methoxy-4-(methylsulfanyl)-N-(pyridin-2-yl)benzamide
CID 1124076
(3-Methoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 790124
4-ethoxy-N-(4-methylpyridin-2-yl)benzamide
CID 803159
2,4-dimethoxy-N-(5-methylpyridin-2-yl)benzamide
CID 649849
(E)-but-2-enedioic acid;3-chloro-4-[4-[5-(4-methylpyrimidin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one
CID 46905547
(4-Ethoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 891507
2-ethoxy-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide
CID 4882693
3-[(2-Methoxy-benzoyl)-hydrazono]-N-pyridin-2-yl-butyramide
CID 9591626
3-(4-(pyridin-2-yl)piperazine-1-carbonyl)-2H-chromen-2-one
CID 773687
Methyl 3-[(4-acetyloxybenzoyl)-pyridin-2-ylamino]propanoate
CID 2918735

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate?
The IUPAC name of methyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate (CID 2948564) is methyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate.
What is the SMILES notation for methyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate?
The canonical SMILES for methyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate is CCOc1ccccc1C(=O)N(CCC(=O)OC)c1ccccn1.
What is the InChIKey of methyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate?
The InChIKey is UYHOCGIOQIMWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-3-24-15-9-5-4-8-14(15)18(22)20(13-11-17(21)23-2)16-10-6-7-12-19-16/h4-10,12H,3,11,13H2,1-2H3.
What are the key properties of methyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate?
methyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate has a molecular weight of 328.37 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate is sourced from PubChem (CID 2948564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).