ethyl 3-[benzoyl(pyridin-2-yl)amino]propanoate

C17H18N2O3 — CID 141002175

IUPACethyl 3-[benzoyl(pyridin-2-yl)amino]propanoate
SMILESCCOC(=O)CCN(C(=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C17H18N2O3/c1-2-22-16(20)11-13-19(15-10-6-7-12-18-15)17(21)14-8-4-3-5-9-14/h3-10,12H,2,11,13H2,1H3
InChIKeyBBECZFOIHRTYDG-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.68
Rot. Bonds6

About ethyl 3-[benzoyl(pyridin-2-yl)amino]propanoate

ethyl 3-[benzoyl(pyridin-2-yl)amino]propanoate (PubChem CID 141002175) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is ethyl 3-[benzoyl(pyridin-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[benzoyl(pyridin-2-yl)amino]propanoate
PubChem CID141002175
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Nameethyl 3-[benzoyl(pyridin-2-yl)amino]propanoate
SMILESCCOC(=O)CCN(C(=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C17H18N2O3/c1-2-22-16(20)11-13-19(15-10-6-7-12-18-15)17(21)14-8-4-3-5-9-14/h3-10,12H,2,11,13H2,1H3
InChIKeyBBECZFOIHRTYDG-UHFFFAOYSA-N
XLogP2.68
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(3-aminobenzoyl)-pyridin-2-ylamino]propanoate
CID 125300571
ethyl 3-[(2-aminobenzoyl)-pyridin-2-ylamino]propanoate
CID 141002217
ethyl 3-[3H-benzimidazole-5-carbonyl(pyridin-2-yl)amino]propanoate;hydrochloride
CID 71258111
ethyl 3-[[3-amino-4-(methylamino)benzoyl]-pyridin-2-ylamino]propanoate;hydrochloride
CID 141446901
ethyl 3-[[4-(methylamino)-3-nitrosobenzoyl]-pyridin-2-ylamino]propanoate
CID 88954755
ethyl 3-[[3-[(2-chloroacetyl)amino]-4-(methylamino)benzoyl]-pyridin-2-ylamino]propanoate
CID 71494900
ethyl 3-[[4-(methylamino)-3-nitrobenzoyl]-pyridin-2-ylamino]propanoate;hydrobromide
CID 56598198
ethyl 3-[(2-methoxy-1-methylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]propanoate
CID 118909548
ethyl 3-[(1-methyl-2-propan-2-ylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]propanoate
CID 118909549
ethyl 3-[1H-imidazo[4,5-b]pyridine-5-carbonyl(pyridin-2-yl)amino]propanoate
CID 162221283
ethyl 3-(N-benzoyl-3,4-dichloroanilino)propanoate
CID 90470373
ethyl 3-[[4-(methylamino)-3-nitrobenzoyl]-pyridin-2-ylamino]propanoate;hydrogen phosphate
CID 71609199

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[benzoyl(pyridin-2-yl)amino]propanoate?
The IUPAC name of ethyl 3-[benzoyl(pyridin-2-yl)amino]propanoate (CID 141002175) is ethyl 3-[benzoyl(pyridin-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[benzoyl(pyridin-2-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[benzoyl(pyridin-2-yl)amino]propanoate is CCOC(=O)CCN(C(=O)c1ccccc1)c1ccccn1.
What is the InChIKey of ethyl 3-[benzoyl(pyridin-2-yl)amino]propanoate?
The InChIKey is BBECZFOIHRTYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-2-22-16(20)11-13-19(15-10-6-7-12-18-15)17(21)14-8-4-3-5-9-14/h3-10,12H,2,11,13H2,1H3.
What are the key properties of ethyl 3-[benzoyl(pyridin-2-yl)amino]propanoate?
ethyl 3-[benzoyl(pyridin-2-yl)amino]propanoate has a molecular weight of 298.34 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[benzoyl(pyridin-2-yl)amino]propanoate is sourced from PubChem (CID 141002175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).