[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate

C16H15ClN4O6 — CID 8875456

IUPAC[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
SMILESO=C(CNC(=O)c1ccco1)NCC(=O)OCC(=O)Nc1cccnc1Cl
InChIInChI=1S/C16H15ClN4O6/c17-15-10(3-1-5-18-15)21-13(23)9-27-14(24)8-19-12(22)7-20-16(25)11-4-2-6-26-11/h1-6H,7-9H2,(H,19,22)(H,20,25)(H,21,23)
InChIKeyIVARUFWSCZJICY-UHFFFAOYSA-N
MW394.77 g/mol
LogP0.36
Rot. Bonds8

About [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate

[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate (PubChem CID 8875456) has the molecular formula C16H15ClN4O6 and a molecular weight of 394.77 g/mol. Its IUPAC name is [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate.

Molecular Properties

Compound Name[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
PubChem CID8875456
Molecular FormulaC16H15ClN4O6
Molecular Weight394.77 g/mol
Exact Mass394.07
IUPAC Name[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
SMILESO=C(CNC(=O)c1ccco1)NCC(=O)OCC(=O)Nc1cccnc1Cl
InChIInChI=1S/C16H15ClN4O6/c17-15-10(3-1-5-18-15)21-13(23)9-27-14(24)8-19-12(22)7-20-16(25)11-4-2-6-26-11/h1-6H,7-9H2,(H,19,22)(H,20,25)(H,21,23)
InChIKeyIVARUFWSCZJICY-UHFFFAOYSA-N
XLogP0.36
TPSA139.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.77
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 8875399
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 7570973
[2-(2-fluoroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880328
[2-(3-chloroanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 8871080
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854407
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880201
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881074
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880275
2-(4-chlorophenoxy)ethyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 8875533
N-[2-[[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 43035097
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7879716
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(furan-2-carbonylamino)acetate
CID 2427987

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate?
The IUPAC name of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate (CID 8875456) is [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate.
What is the SMILES notation for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate?
The canonical SMILES for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate is O=C(CNC(=O)c1ccco1)NCC(=O)OCC(=O)Nc1cccnc1Cl.
What is the InChIKey of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate?
The InChIKey is IVARUFWSCZJICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O6/c17-15-10(3-1-5-18-15)21-13(23)9-27-14(24)8-19-12(22)7-20-16(25)11-4-2-6-26-11/h1-6H,7-9H2,(H,19,22)(H,20,25)(H,21,23).
What are the key properties of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate?
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate has a molecular weight of 394.77 g/mol, XLogP of 0.36, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate is sourced from PubChem (CID 8875456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).