[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyanilino)propanoate

C17H18ClN3O4 — CID 2418919

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyanilino)propanoate
SMILESCOc1ccccc1NCCC(=O)OCC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H18ClN3O4/c1-24-14-5-3-2-4-13(14)19-9-8-17(23)25-11-16(22)21-15-7-6-12(18)10-20-15/h2-7,10,19H,8-9,11H2,1H3,(H,20,21,22)
InChIKeyBIDXHPVKVBXEOT-UHFFFAOYSA-N
MW363.80 g/mol
LogP2.73
Rot. Bonds8

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyanilino)propanoate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyanilino)propanoate (PubChem CID 2418919) has the molecular formula C17H18ClN3O4 and a molecular weight of 363.80 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyanilino)propanoate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyanilino)propanoate
PubChem CID2418919
Molecular FormulaC17H18ClN3O4
Molecular Weight363.80 g/mol
Exact Mass363.10
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyanilino)propanoate
SMILESCOc1ccccc1NCCC(=O)OCC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H18ClN3O4/c1-24-14-5-3-2-4-13(14)19-9-8-17(23)25-11-16(22)21-15-7-6-12(18)10-20-15/h2-7,10,19H,8-9,11H2,1H3,(H,20,21,22)
InChIKeyBIDXHPVKVBXEOT-UHFFFAOYSA-N
XLogP2.73
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyanilino)propanoate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyanilino)propanoate (CID 2418919) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyanilino)propanoate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyanilino)propanoate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyanilino)propanoate is COc1ccccc1NCCC(=O)OCC(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyanilino)propanoate?
The InChIKey is BIDXHPVKVBXEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4/c1-24-14-5-3-2-4-13(14)19-9-8-17(23)25-11-16(22)21-15-7-6-12(18)10-20-15/h2-7,10,19H,8-9,11H2,1H3,(H,20,21,22).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyanilino)propanoate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyanilino)propanoate has a molecular weight of 363.80 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyanilino)propanoate is sourced from PubChem (CID 2418919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).