[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate

C17H17ClN2O4 — CID 18099442

IUPAC[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate
SMILESCOc1ccc(C(=O)OCC(=O)NC(C)c2cccc(Cl)c2)cn1
InChIInChI=1S/C17H17ClN2O4/c1-11(12-4-3-5-14(18)8-12)20-15(21)10-24-17(22)13-6-7-16(23-2)19-9-13/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyYZJIECMFMAWCEN-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.78
Rot. Bonds6

About [2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate

[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate (PubChem CID 18099442) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is [2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate
PubChem CID18099442
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate
SMILESCOc1ccc(C(=O)OCC(=O)NC(C)c2cccc(Cl)c2)cn1
InChIInChI=1S/C17H17ClN2O4/c1-11(12-4-3-5-14(18)8-12)20-15(21)10-24-17(22)13-6-7-16(23-2)19-9-13/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyYZJIECMFMAWCEN-UHFFFAOYSA-N
XLogP2.78
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 8529508
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-methylbenzoate
CID 7980176
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-methylbenzoate
CID 7980175
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] benzoate
CID 7515116
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] pyridine-4-carboxylate
CID 7478194
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-phenylbenzoate
CID 7749846
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 3-methylbenzoate
CID 7382117
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 8532517
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate
CID 18169821
ethyl 4-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate
CID 7471705
[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] 3-methylsulfonylbenzoate
CID 18082132
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-hydroxybenzoate
CID 7485284

Frequently Asked Questions

What is the IUPAC name of [2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate?
The IUPAC name of [2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate (CID 18099442) is [2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate.
What is the SMILES notation for [2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate?
The canonical SMILES for [2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate is COc1ccc(C(=O)OCC(=O)NC(C)c2cccc(Cl)c2)cn1.
What is the InChIKey of [2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate?
The InChIKey is YZJIECMFMAWCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-11(12-4-3-5-14(18)8-12)20-15(21)10-24-17(22)13-6-7-16(23-2)19-9-13/h3-9,11H,10H2,1-2H3,(H,20,21).
What are the key properties of [2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate?
[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate has a molecular weight of 348.79 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] 6-methoxypyridine-3-carboxylate is sourced from PubChem (CID 18099442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).