ethyl 3-(N-pyridin-2-yloxycarbonylanilino)propanoate;hydrochloride

C17H19ClN2O4 — CID 70094347

IUPACethyl 3-(N-pyridin-2-yloxycarbonylanilino)propanoate;hydrochloride
SMILESCCOC(=O)CCN(C(=O)Oc1ccccn1)c1ccccc1.Cl
InChIInChI=1S/C17H18N2O4.ClH/c1-2-22-16(20)11-13-19(14-8-4-3-5-9-14)17(21)23-15-10-6-7-12-18-15;/h3-10,12H,2,11,13H2,1H3;1H
InChIKeyYVUQZKQLUFZPTN-UHFFFAOYSA-N
MW350.80 g/mol
LogP3.46
Rot. Bonds6

About ethyl 3-(N-pyridin-2-yloxycarbonylanilino)propanoate;hydrochloride

ethyl 3-(N-pyridin-2-yloxycarbonylanilino)propanoate;hydrochloride (PubChem CID 70094347) has the molecular formula C17H19ClN2O4 and a molecular weight of 350.80 g/mol. Its IUPAC name is ethyl 3-(N-pyridin-2-yloxycarbonylanilino)propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-(N-pyridin-2-yloxycarbonylanilino)propanoate;hydrochloride
PubChem CID70094347
Molecular FormulaC17H19ClN2O4
Molecular Weight350.80 g/mol
Exact Mass350.10
IUPAC Nameethyl 3-(N-pyridin-2-yloxycarbonylanilino)propanoate;hydrochloride
SMILESCCOC(=O)CCN(C(=O)Oc1ccccn1)c1ccccc1.Cl
InChIInChI=1S/C17H18N2O4.ClH/c1-2-22-16(20)11-13-19(14-8-4-3-5-9-14)17(21)23-15-10-6-7-12-18-15;/h3-10,12H,2,11,13H2,1H3;1H
InChIKeyYVUQZKQLUFZPTN-UHFFFAOYSA-N
XLogP3.46
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(N-(3-ethoxy-3-oxopropyl)anilino)-3-oxopropanoate
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ethyl 3-[(2-aminobenzoyl)-pyridin-2-ylamino]propanoate
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ethyl N-phenyl-N-pyridin-2-ylcarbamate
CID 2783435
ethyl 3-[(3-aminobenzoyl)-pyridin-2-ylamino]propanoate
CID 125300571
ethyl 3-oxo-3-(N-pyridin-2-ylanilino)propanoate
CID 135020038
ethyl 3-[[3-amino-4-(methylamino)benzoyl]-pyridin-2-ylamino]propanoate;hydrochloride
CID 141446901
ethyl 3-(N-[3-amino-4-(methylamino)benzoyl]anilino)propanoate
CID 18412328
ethyl 3-(N-benzoyl-3,4-dichloroanilino)propanoate
CID 90470373
ethyl 3-[3H-benzimidazole-5-carbonyl(pyridin-2-yl)amino]propanoate;hydrochloride
CID 71258111
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ethyl 3-[acetyl(benzyl)amino]propanoate
CID 14922098

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(N-pyridin-2-yloxycarbonylanilino)propanoate;hydrochloride?
The IUPAC name of ethyl 3-(N-pyridin-2-yloxycarbonylanilino)propanoate;hydrochloride (CID 70094347) is ethyl 3-(N-pyridin-2-yloxycarbonylanilino)propanoate;hydrochloride.
What is the SMILES notation for ethyl 3-(N-pyridin-2-yloxycarbonylanilino)propanoate;hydrochloride?
The canonical SMILES for ethyl 3-(N-pyridin-2-yloxycarbonylanilino)propanoate;hydrochloride is CCOC(=O)CCN(C(=O)Oc1ccccn1)c1ccccc1.Cl.
What is the InChIKey of ethyl 3-(N-pyridin-2-yloxycarbonylanilino)propanoate;hydrochloride?
The InChIKey is YVUQZKQLUFZPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4.ClH/c1-2-22-16(20)11-13-19(14-8-4-3-5-9-14)17(21)23-15-10-6-7-12-18-15;/h3-10,12H,2,11,13H2,1H3;1H.
What are the key properties of ethyl 3-(N-pyridin-2-yloxycarbonylanilino)propanoate;hydrochloride?
ethyl 3-(N-pyridin-2-yloxycarbonylanilino)propanoate;hydrochloride has a molecular weight of 350.80 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(N-pyridin-2-yloxycarbonylanilino)propanoate;hydrochloride is sourced from PubChem (CID 70094347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).