[2-[benzyl(methyl)amino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate

C16H14Cl2N2O3 — CID 2342757

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C16H14Cl2N2O3/c1-20(9-11-5-3-2-4-6-11)15(21)10-23-16(22)12-7-13(17)19-14(18)8-12/h2-8H,9-10H2,1H3
InChIKeyRQLCGIVUQPWIKS-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.20
Rot. Bonds5

About [2-[benzyl(methyl)amino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate

[2-[benzyl(methyl)amino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate (PubChem CID 2342757) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate
PubChem CID2342757
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C16H14Cl2N2O3/c1-20(9-11-5-3-2-4-6-11)15(21)10-23-16(22)12-7-13(17)19-14(18)8-12/h2-8H,9-10H2,1H3
InChIKeyRQLCGIVUQPWIKS-UHFFFAOYSA-N
XLogP3.20
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[Benzyl(ethyl)carbamoyl]methyl 2,6-dichloropyridine-4-carboxylate
CID 2393506
[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 2416957
({[4-(Methoxycarbonyl)phenyl]methyl}carbamoyl)methyl 2,6-dichloropyridine-4-carboxylate
CID 2342756
[2-[2-(2,4-Dichlorophenyl)ethylamino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 2416447
[2-(3-Chloroanilino)-2-oxoethyl] pyridine-4-carboxylate
CID 2574917
[1-(3-Chloroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 2998662
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 2094573
{[2-(4-Fluorophenyl)ethyl]carbamoyl}methyl 2,6-dichloropyridine-4-carboxylate
CID 2357999
[2-[2-(4-Methoxyphenyl)ethylamino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate
CID 2358005
[(1-Phenylethyl)carbamoyl]methyl 2,6-dichloropyridine-4-carboxylate
CID 4117749
[(1-Phenylethyl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate
CID 4658528
[(2-Phenylethyl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate
CID 2705791

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate (CID 2342757) is [2-[benzyl(methyl)amino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate is CN(Cc1ccccc1)C(=O)COC(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate?
The InChIKey is RQLCGIVUQPWIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-20(9-11-5-3-2-4-6-11)15(21)10-23-16(22)12-7-13(17)19-14(18)8-12/h2-8H,9-10H2,1H3.
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate?
[2-[benzyl(methyl)amino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate has a molecular weight of 353.21 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate is sourced from PubChem (CID 2342757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).