[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

C16H14Cl2N2O4 — CID 8785802

IUPAC[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESC[C@@H](NC(=O)COC(=O)c1ccc[nH]c1=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2N2O4/c1-9(10-4-5-12(17)13(18)7-10)20-14(21)8-24-16(23)11-3-2-6-19-15(11)22/h2-7,9H,8H2,1H3,(H,19,22)(H,20,21)/t9-/m1/s1
InChIKeyLXVXGVVHPIWBHE-SECBINFHSA-N
MW369.20 g/mol
LogP2.72
Rot. Bonds5

About [2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 8785802) has the molecular formula C16H14Cl2N2O4 and a molecular weight of 369.20 g/mol. Its IUPAC name is [2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID8785802
Molecular FormulaC16H14Cl2N2O4
Molecular Weight369.20 g/mol
Exact Mass368.03
IUPAC Name[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESC[C@@H](NC(=O)COC(=O)c1ccc[nH]c1=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2N2O4/c1-9(10-4-5-12(17)13(18)7-10)20-14(21)8-24-16(23)11-3-2-6-19-15(11)22/h2-7,9H,8H2,1H3,(H,19,22)(H,20,21)/t9-/m1/s1
InChIKeyLXVXGVVHPIWBHE-SECBINFHSA-N
XLogP2.72
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate with MolForge

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Related Compounds

[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8549671
[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602255
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2549602
[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 46792843
[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-chlorobenzoate
CID 7775527
[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8817198
[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-fluorobenzoate
CID 8611803
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8785919
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786481
[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-nitrobenzoate
CID 7768307
[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 31395963
[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 8532627

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 8785802) is [2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is C[C@@H](NC(=O)COC(=O)c1ccc[nH]c1=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is LXVXGVVHPIWBHE-SECBINFHSA-N. The full InChI is InChI=1S/C16H14Cl2N2O4/c1-9(10-4-5-12(17)13(18)7-10)20-14(21)8-24-16(23)11-3-2-6-19-15(11)22/h2-7,9H,8H2,1H3,(H,19,22)(H,20,21)/t9-/m1/s1.
What are the key properties of [2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 369.20 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 8785802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).