[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate

C19H19ClN2O5 — CID 8534958

IUPAC[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate
SMILESCOc1ccc(C(C)=O)cc1CC(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C19H19ClN2O5/c1-11(23)13-4-6-16(26-3)14(8-13)9-18(24)27-12(2)19(25)22-17-7-5-15(20)10-21-17/h4-8,10,12H,9H2,1-3H3,(H,21,22,25)/t12-/m0/s1
InChIKeyGPKAXBFXQAUQLN-LBPRGKRZSA-N
MW390.82 g/mol
LogP3.06
Rot. Bonds7

About [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate

[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate (PubChem CID 8534958) has the molecular formula C19H19ClN2O5 and a molecular weight of 390.82 g/mol. Its IUPAC name is [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate.

Molecular Properties

Compound Name[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate
PubChem CID8534958
Molecular FormulaC19H19ClN2O5
Molecular Weight390.82 g/mol
Exact Mass390.10
IUPAC Name[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate
SMILESCOc1ccc(C(C)=O)cc1CC(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C19H19ClN2O5/c1-11(23)13-4-6-16(26-3)14(8-13)9-18(24)27-12(2)19(25)22-17-7-5-15(20)10-21-17/h4-8,10,12H,9H2,1-3H3,(H,21,22,25)/t12-/m0/s1
InChIKeyGPKAXBFXQAUQLN-LBPRGKRZSA-N
XLogP3.06
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate with MolForge

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Related Compounds

[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8617258
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-bromo-4-methoxybenzoate
CID 8876112
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 2572190
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534348
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882361
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616935
(2S)-2-(5-acetamido-2-methoxyanilino)-N-(5-chloro-2-pyridinyl)propanamide
CID 35972098
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8617185
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791568
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-methoxybenzoate
CID 7703108
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-fluorophenoxy)acetate
CID 7842256
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate
CID 42983781

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate?
The IUPAC name of [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate (CID 8534958) is [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate.
What is the SMILES notation for [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate?
The canonical SMILES for [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate is COc1ccc(C(C)=O)cc1CC(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate?
The InChIKey is GPKAXBFXQAUQLN-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19ClN2O5/c1-11(23)13-4-6-16(26-3)14(8-13)9-18(24)27-12(2)19(25)22-17-7-5-15(20)10-21-17/h4-8,10,12H,9H2,1-3H3,(H,21,22,25)/t12-/m0/s1.
What are the key properties of [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate?
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate has a molecular weight of 390.82 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate is sourced from PubChem (CID 8534958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).