tert-butyl 3-[[2-methyl-5-[(6-methyl-2-pyridinyl)methoxy]-1-benzofuran-3-carbonyl]amino]pyrrolidine-1-carboxylate

C26H31N3O5 — CID 175480591

IUPACtert-butyl 3-[[2-methyl-5-[(6-methyl-2-pyridinyl)methoxy]-1-benzofuran-3-carbonyl]amino]pyrrolidine-1-carboxylate
SMILESCc1cccc(COc2ccc3oc(C)c(C(=O)NC4CCN(C(=O)OC(C)(C)C)C4)c3c2)n1
InChIInChI=1S/C26H31N3O5/c1-16-7-6-8-19(27-16)15-32-20-9-10-22-21(13-20)23(17(2)33-22)24(30)28-18-11-12-29(14-18)25(31)34-26(3,4)5/h6-10,13,18H,11-12,14-15H2,1-5H3,(H,28,30)
InChIKeyWJRIKHQYIBTZCW-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.76
Rot. Bonds5

About tert-butyl 3-[[2-methyl-5-[(6-methyl-2-pyridinyl)methoxy]-1-benzofuran-3-carbonyl]amino]pyrrolidine-1-carboxylate

tert-butyl 3-[[2-methyl-5-[(6-methyl-2-pyridinyl)methoxy]-1-benzofuran-3-carbonyl]amino]pyrrolidine-1-carboxylate (PubChem CID 175480591) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is tert-butyl 3-[[2-methyl-5-[(6-methyl-2-pyridinyl)methoxy]-1-benzofuran-3-carbonyl]amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[2-methyl-5-[(6-methyl-2-pyridinyl)methoxy]-1-benzofuran-3-carbonyl]amino]pyrrolidine-1-carboxylate
PubChem CID175480591
Molecular FormulaC26H31N3O5
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC Nametert-butyl 3-[[2-methyl-5-[(6-methyl-2-pyridinyl)methoxy]-1-benzofuran-3-carbonyl]amino]pyrrolidine-1-carboxylate
SMILESCc1cccc(COc2ccc3oc(C)c(C(=O)NC4CCN(C(=O)OC(C)(C)C)C4)c3c2)n1
InChIInChI=1S/C26H31N3O5/c1-16-7-6-8-19(27-16)15-32-20-9-10-22-21(13-20)23(17(2)33-22)24(30)28-18-11-12-29(14-18)25(31)34-26(3,4)5/h6-10,13,18H,11-12,14-15H2,1-5H3,(H,28,30)
InChIKeyWJRIKHQYIBTZCW-UHFFFAOYSA-N
XLogP4.76
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-[[2-methyl-5-[(6-methyl-2-pyridinyl)methoxy]-1-benzofuran-3-carbonyl]amino]pyrrolidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 3-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]pyrrolidine-1-carboxylate
CID 175486639
tert-butyl 2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-7-azaspiro[3.5]nonane-7-carboxylate
CID 163379523
tert-butyl (5R)-3-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 163379519
tert-butyl (4S)-3,3-difluoro-4-[[2-methyl-5-(2-methylpropoxy)-1-benzofuran-3-carbonyl]amino]piperidine-1-carboxylate
CID 170347393
N-(1-ethylpiperidin-4-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379581
tert-butyl 3-[[[5-[(4-cyanophenyl)methoxy]-2-methyl-1-benzofuran-3-yl]-hydroxymethyl]amino]pyrrolidine-1-carboxylate
CID 163379573
5-(cyclopropylmethoxy)-2-methyl-N-(1-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide
CID 175963546
2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379359
2-methyl-N-pyrrolidin-3-yl-5-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzofuran-3-carboxamide
CID 175486601
5-[(2,3-difluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide
CID 163379483
1-O-tert-butyl 3-O-methyl 3-[[2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carbonyl]amino]pyrrolidine-1,3-dicarboxylate
CID 163379949
tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate
CID 66630666

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[2-methyl-5-[(6-methyl-2-pyridinyl)methoxy]-1-benzofuran-3-carbonyl]amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[2-methyl-5-[(6-methyl-2-pyridinyl)methoxy]-1-benzofuran-3-carbonyl]amino]pyrrolidine-1-carboxylate (CID 175480591) is tert-butyl 3-[[2-methyl-5-[(6-methyl-2-pyridinyl)methoxy]-1-benzofuran-3-carbonyl]amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[2-methyl-5-[(6-methyl-2-pyridinyl)methoxy]-1-benzofuran-3-carbonyl]amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[2-methyl-5-[(6-methyl-2-pyridinyl)methoxy]-1-benzofuran-3-carbonyl]amino]pyrrolidine-1-carboxylate is Cc1cccc(COc2ccc3oc(C)c(C(=O)NC4CCN(C(=O)OC(C)(C)C)C4)c3c2)n1.
What is the InChIKey of tert-butyl 3-[[2-methyl-5-[(6-methyl-2-pyridinyl)methoxy]-1-benzofuran-3-carbonyl]amino]pyrrolidine-1-carboxylate?
The InChIKey is WJRIKHQYIBTZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5/c1-16-7-6-8-19(27-16)15-32-20-9-10-22-21(13-20)23(17(2)33-22)24(30)28-18-11-12-29(14-18)25(31)34-26(3,4)5/h6-10,13,18H,11-12,14-15H2,1-5H3,(H,28,30).
What are the key properties of tert-butyl 3-[[2-methyl-5-[(6-methyl-2-pyridinyl)methoxy]-1-benzofuran-3-carbonyl]amino]pyrrolidine-1-carboxylate?
tert-butyl 3-[[2-methyl-5-[(6-methyl-2-pyridinyl)methoxy]-1-benzofuran-3-carbonyl]amino]pyrrolidine-1-carboxylate has a molecular weight of 465.55 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[2-methyl-5-[(6-methyl-2-pyridinyl)methoxy]-1-benzofuran-3-carbonyl]amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 175480591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).