[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate

C19H16ClN3O4 — CID 7602503

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NCc1ccco1)Nc1ccc(Cl)cn1
InChIInChI=1S/C19H16ClN3O4/c20-13-7-8-17(22-10-13)23-18(24)12-27-19(25)15-5-1-2-6-16(15)21-11-14-4-3-9-26-14/h1-10,21H,11-12H2,(H,22,23,24)
InChIKeyAFJSPBQHRJTKJY-UHFFFAOYSA-N
MW385.81 g/mol
LogP3.74
Rot. Bonds7

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate (PubChem CID 7602503) has the molecular formula C19H16ClN3O4 and a molecular weight of 385.81 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
PubChem CID7602503
Molecular FormulaC19H16ClN3O4
Molecular Weight385.81 g/mol
Exact Mass385.08
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NCc1ccco1)Nc1ccc(Cl)cn1
InChIInChI=1S/C19H16ClN3O4/c20-13-7-8-17(22-10-13)23-18(24)12-27-19(25)15-5-1-2-6-16(15)21-11-14-4-3-9-26-14/h1-10,21H,11-12H2,(H,22,23,24)
InChIKeyAFJSPBQHRJTKJY-UHFFFAOYSA-N
XLogP3.74
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate with MolForge

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Related Compounds

[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(furan-2-ylmethylamino)benzoate
CID 7150002
(2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate
CID 2613781
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150042
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7224212
[2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 4840922
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150083
[2-(cyclohexylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 2613807
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 42968380
methyl 3-[[2-[2-(furan-2-ylmethylamino)benzoyl]oxyacetyl]amino]thiophene-2-carboxylate
CID 55465471
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7256849
[2-(butylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7149879
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7224219

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate (CID 7602503) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate is O=C(COC(=O)c1ccccc1NCc1ccco1)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
The InChIKey is AFJSPBQHRJTKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4/c20-13-7-8-17(22-10-13)23-18(24)12-27-19(25)15-5-1-2-6-16(15)21-11-14-4-3-9-26-14/h1-10,21H,11-12H2,(H,22,23,24).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate has a molecular weight of 385.81 g/mol, XLogP of 3.74, 7 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] 2-(furan-2-ylmethylamino)benzoate is sourced from PubChem (CID 7602503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).