[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate

C15H14ClN3O5 — CID 7570973

IUPAC[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
SMILESC[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1cccnc1Cl
InChIInChI=1S/C15H14ClN3O5/c1-9(18-14(21)11-5-3-7-23-11)15(22)24-8-12(20)19-10-4-2-6-17-13(10)16/h2-7,9H,8H2,1H3,(H,18,21)(H,19,20)/t9-/m0/s1
InChIKeyIPEHAUYTMAMPAD-VIFPVBQESA-N
MW351.75 g/mol
LogP1.63
Rot. Bonds6

About [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate

[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate (PubChem CID 7570973) has the molecular formula C15H14ClN3O5 and a molecular weight of 351.75 g/mol. Its IUPAC name is [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
PubChem CID7570973
Molecular FormulaC15H14ClN3O5
Molecular Weight351.75 g/mol
Exact Mass351.06
IUPAC Name[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
SMILESC[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1cccnc1Cl
InChIInChI=1S/C15H14ClN3O5/c1-9(18-14(21)11-5-3-7-23-11)15(22)24-8-12(20)19-10-4-2-6-17-13(10)16/h2-7,9H,8H2,1H3,(H,18,21)(H,19,20)/t9-/m0/s1
InChIKeyIPEHAUYTMAMPAD-VIFPVBQESA-N
XLogP1.63
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.75
LogP ≤ 51.63
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-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 8875456
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 7570965
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919194
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7265751
[2-(2,6-dichloroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575621
[2-(4-chloroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575614
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)propanoate
CID 2110544
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 7571064
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate
CID 8984659
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8847052
[2-(2-chloroanilino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570560
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] (2R)-2-(furan-2-carbonylamino)propanoate
CID 40834225

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate?
The IUPAC name of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate (CID 7570973) is [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate?
The canonical SMILES for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate is C[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1cccnc1Cl.
What is the InChIKey of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate?
The InChIKey is IPEHAUYTMAMPAD-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14ClN3O5/c1-9(18-14(21)11-5-3-7-23-11)15(22)24-8-12(20)19-10-4-2-6-17-13(10)16/h2-7,9H,8H2,1H3,(H,18,21)(H,19,20)/t9-/m0/s1.
What are the key properties of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate?
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate has a molecular weight of 351.75 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 7570973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).