[(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate

C18H18ClN3O5 — CID 8735990

IUPAC[(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
SMILESCOc1ccccc1C(=O)NCC(=O)O[C@@H](C)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C18H18ClN3O5/c1-11(17(24)22-13-7-5-9-20-16(13)19)27-15(23)10-21-18(25)12-6-3-4-8-14(12)26-2/h3-9,11H,10H2,1-2H3,(H,21,25)(H,22,24)/t11-/m0/s1
InChIKeyMHYXTLOQCNGRFN-NSHDSACASA-N
MW391.81 g/mol
LogP2.04
Rot. Bonds7

About [(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate

[(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate (PubChem CID 8735990) has the molecular formula C18H18ClN3O5 and a molecular weight of 391.81 g/mol. Its IUPAC name is [(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
PubChem CID8735990
Molecular FormulaC18H18ClN3O5
Molecular Weight391.81 g/mol
Exact Mass391.09
IUPAC Name[(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
SMILESCOc1ccccc1C(=O)NCC(=O)O[C@@H](C)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C18H18ClN3O5/c1-11(17(24)22-13-7-5-9-20-16(13)19)27-15(23)10-21-18(25)12-6-3-4-8-14(12)26-2/h3-9,11H,10H2,1-2H3,(H,21,25)(H,22,24)/t11-/m0/s1
InChIKeyMHYXTLOQCNGRFN-NSHDSACASA-N
XLogP2.04
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.81
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8736036
[(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 8956074
[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 55419011
[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8735984
[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 46793493
[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8735942
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8735955
[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8736034
[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8735926
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8736013
[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8735978
[(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate
CID 8938407

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate?
The IUPAC name of [(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate (CID 8735990) is [(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate?
The canonical SMILES for [(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate is COc1ccccc1C(=O)NCC(=O)O[C@@H](C)C(=O)Nc1cccnc1Cl.
What is the InChIKey of [(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate?
The InChIKey is MHYXTLOQCNGRFN-NSHDSACASA-N. The full InChI is InChI=1S/C18H18ClN3O5/c1-11(17(24)22-13-7-5-9-20-16(13)19)27-15(23)10-21-18(25)12-6-3-4-8-14(12)26-2/h3-9,11H,10H2,1-2H3,(H,21,25)(H,22,24)/t11-/m0/s1.
What are the key properties of [(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate?
[(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate has a molecular weight of 391.81 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 8735990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).