[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 6-chloropyridine-3-carboxylate

C20H16ClN3O5 — CID 9201730

IUPAC[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc(Cl)nc1)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C20H16ClN3O5/c21-17-8-7-13(10-22-17)20(27)29-12-18(25)24-16-6-2-1-5-15(16)19(26)23-11-14-4-3-9-28-14/h1-10H,11-12H2,(H,23,26)(H,24,25)
InChIKeyZDQMMEWVVKXFJU-UHFFFAOYSA-N
MW413.82 g/mol
LogP3.05
Rot. Bonds7

About [2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 6-chloropyridine-3-carboxylate

[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 6-chloropyridine-3-carboxylate (PubChem CID 9201730) has the molecular formula C20H16ClN3O5 and a molecular weight of 413.82 g/mol. Its IUPAC name is [2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 6-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
PubChem CID9201730
Molecular FormulaC20H16ClN3O5
Molecular Weight413.82 g/mol
Exact Mass413.08
IUPAC Name[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc(Cl)nc1)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C20H16ClN3O5/c21-17-8-7-13(10-22-17)20(27)29-12-18(25)24-16-6-2-1-5-15(16)19(26)23-11-14-4-3-9-28-14/h1-10H,11-12H2,(H,23,26)(H,24,25)
InChIKeyZDQMMEWVVKXFJU-UHFFFAOYSA-N
XLogP3.05
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.82
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 8886887
5,6-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 51283905
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 34657042
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34658669
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34648175
[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 9198960
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 9229573
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 4938456
methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178254
[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 46511969

Frequently Asked Questions

What is the IUPAC name of [2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 6-chloropyridine-3-carboxylate?
The IUPAC name of [2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 6-chloropyridine-3-carboxylate (CID 9201730) is [2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 6-chloropyridine-3-carboxylate.
What is the SMILES notation for [2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 6-chloropyridine-3-carboxylate?
The canonical SMILES for [2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 6-chloropyridine-3-carboxylate is O=C(COC(=O)c1ccc(Cl)nc1)Nc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of [2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 6-chloropyridine-3-carboxylate?
The InChIKey is ZDQMMEWVVKXFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O5/c21-17-8-7-13(10-22-17)20(27)29-12-18(25)24-16-6-2-1-5-15(16)19(26)23-11-14-4-3-9-28-14/h1-10H,11-12H2,(H,23,26)(H,24,25).
What are the key properties of [2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 6-chloropyridine-3-carboxylate?
[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 6-chloropyridine-3-carboxylate has a molecular weight of 413.82 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 6-chloropyridine-3-carboxylate is sourced from PubChem (CID 9201730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).