[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] pyridine-4-carboxylate

C22H18N2O5 — CID 7783804

IUPAC[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] pyridine-4-carboxylate
SMILESCOc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1ccncc1)oc1ccccc12
InChIInChI=1S/C22H18N2O5/c1-13(28-22(26)14-7-9-23-10-8-14)21(25)24-17-12-19-16(11-20(17)27-2)15-5-3-4-6-18(15)29-19/h3-13H,1-2H3,(H,24,25)/t13-/m0/s1
InChIKeyTXQGSQBNYAEMBO-ZDUSSCGKSA-N
MW390.40 g/mol
LogP4.17
Rot. Bonds5

About [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] pyridine-4-carboxylate

[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] pyridine-4-carboxylate (PubChem CID 7783804) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] pyridine-4-carboxylate.

Molecular Properties

Compound Name[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] pyridine-4-carboxylate
PubChem CID7783804
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Name[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] pyridine-4-carboxylate
SMILESCOc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1ccncc1)oc1ccccc12
InChIInChI=1S/C22H18N2O5/c1-13(28-22(26)14-7-9-23-10-8-14)21(25)24-17-12-19-16(11-20(17)27-2)15-5-3-4-6-18(15)29-19/h3-13H,1-2H3,(H,24,25)/t13-/m0/s1
InChIKeyTXQGSQBNYAEMBO-ZDUSSCGKSA-N
XLogP4.17
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] pyridine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-aminobenzoate
CID 7890835
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-(dimethylamino)benzoate
CID 41152870
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 3,5-difluorobenzoate
CID 3980526
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate
CID 7811454
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 4802218
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 2450054
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate
CID 3996422
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate
CID 4987416
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717571
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821691
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821695
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
CID 2098410

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] pyridine-4-carboxylate?
The IUPAC name of [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] pyridine-4-carboxylate (CID 7783804) is [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] pyridine-4-carboxylate.
What is the SMILES notation for [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] pyridine-4-carboxylate?
The canonical SMILES for [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] pyridine-4-carboxylate is COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1ccncc1)oc1ccccc12.
What is the InChIKey of [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] pyridine-4-carboxylate?
The InChIKey is TXQGSQBNYAEMBO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H18N2O5/c1-13(28-22(26)14-7-9-23-10-8-14)21(25)24-17-12-19-16(11-20(17)27-2)15-5-3-4-6-18(15)29-19/h3-13H,1-2H3,(H,24,25)/t13-/m0/s1.
What are the key properties of [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] pyridine-4-carboxylate?
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] pyridine-4-carboxylate has a molecular weight of 390.40 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] pyridine-4-carboxylate is sourced from PubChem (CID 7783804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).