ethyl 3-[[3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]propanoate

C17H18ClN3O3 — CID 15617224

IUPACethyl 3-[[3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]propanoate
SMILESCCOC(=O)CCNc1ncccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O3/c1-2-24-15(22)9-11-20-16-14(4-3-10-19-16)21-17(23)12-5-7-13(18)8-6-12/h3-8,10H,2,9,11H2,1H3,(H,19,20)(H,21,23)
InChIKeyGUXJXOHFWPVDDD-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.35
Rot. Bonds7

About ethyl 3-[[3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]propanoate

ethyl 3-[[3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]propanoate (PubChem CID 15617224) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is ethyl 3-[[3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]propanoate
PubChem CID15617224
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Nameethyl 3-[[3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]propanoate
SMILESCCOC(=O)CCNc1ncccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O3/c1-2-24-15(22)9-11-20-16-14(4-3-10-19-16)21-17(23)12-5-7-13(18)8-6-12/h3-8,10H,2,9,11H2,1H3,(H,19,20)(H,21,23)
InChIKeyGUXJXOHFWPVDDD-UHFFFAOYSA-N
XLogP3.35
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(2-chloro-3-pyridinyl)amino]propanoate
CID 82316667
ethyl 2-[[6-chloro-3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]acetate
CID 15617222
ethyl 3-[(7-chloroquinazolin-4-yl)amino]propanoate
CID 51126402
ethyl 3-(4-chloro-2-iodoanilino)propanoate
CID 107634917
N-[2-[(2-amino-2-oxoethyl)amino]-3-pyridinyl]benzamide
CID 14390486
[2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827367
ethyl 3-(5-chloro-2-fluoroanilino)propanoate
CID 43438452
ethyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 55207055
ethyl 3-(2-iodoanilino)propanoate
CID 43174220
2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63654258
4-chloro-N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide
CID 18107028
[1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-(pyrimidin-2-ylamino)propanoate
CID 55998590

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]propanoate?
The IUPAC name of ethyl 3-[[3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]propanoate (CID 15617224) is ethyl 3-[[3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]propanoate is CCOC(=O)CCNc1ncccc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 3-[[3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]propanoate?
The InChIKey is GUXJXOHFWPVDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-2-24-15(22)9-11-20-16-14(4-3-10-19-16)21-17(23)12-5-7-13(18)8-6-12/h3-8,10H,2,9,11H2,1H3,(H,19,20)(H,21,23).
What are the key properties of ethyl 3-[[3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]propanoate?
ethyl 3-[[3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]propanoate has a molecular weight of 347.80 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]propanoate is sourced from PubChem (CID 15617224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).