[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate

C19H14Cl2N2O4 — CID 7890982

IUPAC[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
SMILESC[C@H](OC(=O)c1ccc2ccccc2c1O)C(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C19H14Cl2N2O4/c1-10(18(25)23-17-15(21)8-12(20)9-22-17)27-19(26)14-7-6-11-4-2-3-5-13(11)16(14)24/h2-10,24H,1H3,(H,22,23,25)/t10-/m0/s1
InChIKeyFJHMXAHILQVURM-JTQLQIEISA-N
MW405.24 g/mol
LogP4.43
Rot. Bonds4

About [(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate

[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate (PubChem CID 7890982) has the molecular formula C19H14Cl2N2O4 and a molecular weight of 405.24 g/mol. Its IUPAC name is [(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
PubChem CID7890982
Molecular FormulaC19H14Cl2N2O4
Molecular Weight405.24 g/mol
Exact Mass404.03
IUPAC Name[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
SMILESC[C@H](OC(=O)c1ccc2ccccc2c1O)C(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C19H14Cl2N2O4/c1-10(18(25)23-17-15(21)8-12(20)9-22-17)27-19(26)14-7-6-11-4-2-3-5-13(11)16(14)24/h2-10,24H,1H3,(H,22,23,25)/t10-/m0/s1
InChIKeyFJHMXAHILQVURM-JTQLQIEISA-N
XLogP4.43
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.24
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate with MolForge

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Related Compounds

[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 7953594
[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
CID 4652502
[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(S)-methylsulfinyl]benzoate
CID 11926984
[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(4-hydroxyphenyl)diazenyl]benzoate
CID 136882141
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(4-hydroxyphenyl)diazenyl]benzoate
CID 136882140
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 2624812
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 7890854
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 7468159
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 7624889
[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 16506294
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 2513518
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 7468232

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate?
The IUPAC name of [(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate (CID 7890982) is [(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for [(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for [(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate is C[C@H](OC(=O)c1ccc2ccccc2c1O)C(=O)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate?
The InChIKey is FJHMXAHILQVURM-JTQLQIEISA-N. The full InChI is InChI=1S/C19H14Cl2N2O4/c1-10(18(25)23-17-15(21)8-12(20)9-22-17)27-19(26)14-7-6-11-4-2-3-5-13(11)16(14)24/h2-10,24H,1H3,(H,22,23,25)/t10-/m0/s1.
What are the key properties of [(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate?
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate has a molecular weight of 405.24 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 7890982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).