tert-butyl 2-[6-(benzamidomethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-1-carboxylate

C24H27N3O4 — CID 19597635

IUPACtert-butyl 2-[6-(benzamidomethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1c1cc2ncc(CNC(=O)c3ccccc3)cc2o1
InChIInChI=1S/C24H27N3O4/c1-24(2,3)31-23(29)27-11-7-10-19(27)21-13-18-20(30-21)12-16(14-25-18)15-26-22(28)17-8-5-4-6-9-17/h4-6,8-9,12-14,19H,7,10-11,15H2,1-3H3,(H,26,28)
InChIKeyYKVXYCXKCFONFC-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.83
Rot. Bonds4

About tert-butyl 2-[6-(benzamidomethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-1-carboxylate

tert-butyl 2-[6-(benzamidomethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-1-carboxylate (PubChem CID 19597635) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is tert-butyl 2-[6-(benzamidomethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[6-(benzamidomethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-1-carboxylate
PubChem CID19597635
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Nametert-butyl 2-[6-(benzamidomethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1c1cc2ncc(CNC(=O)c3ccccc3)cc2o1
InChIInChI=1S/C24H27N3O4/c1-24(2,3)31-23(29)27-11-7-10-19(27)21-13-18-20(30-21)12-16(14-25-18)15-26-22(28)17-8-5-4-6-9-17/h4-6,8-9,12-14,19H,7,10-11,15H2,1-3H3,(H,26,28)
InChIKeyYKVXYCXKCFONFC-UHFFFAOYSA-N
XLogP4.83
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-(6-benzoylfuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate
CID 19597605
tert-butyl (2S)-2-(5-bromofuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate
CID 18396225
tert-butyl 2-(5,6-dichlorofuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate
CID 19597587
tert-butyl 2-furo[3,2-c]pyridin-2-ylpyrrolidine-1-carboxylate
CID 19597717
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]benzoic acid
CID 45073984
4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]benzoic acid
CID 86309421
tert-butyl 2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate
CID 69255350
tert-butyl 3-(benzamidomethyl)morpholine-4-carboxylate
CID 135183986
tert-butyl 2-[[(3-fluorobenzoyl)amino]methyl]pyrrolidine-1-carboxylate
CID 123815493
tert-butyl (2S)-2-[5-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1,3-oxazol-2-yl]pyrrolidine-1-carboxylate
CID 53468154
tert-butyl 2-(3-trimethylsilylphenyl)pyrrolidine-1-carboxylate
CID 71207301

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[6-(benzamidomethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[6-(benzamidomethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-1-carboxylate (CID 19597635) is tert-butyl 2-[6-(benzamidomethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[6-(benzamidomethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[6-(benzamidomethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1c1cc2ncc(CNC(=O)c3ccccc3)cc2o1.
What is the InChIKey of tert-butyl 2-[6-(benzamidomethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is YKVXYCXKCFONFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-24(2,3)31-23(29)27-11-7-10-19(27)21-13-18-20(30-21)12-16(14-25-18)15-26-22(28)17-8-5-4-6-9-17/h4-6,8-9,12-14,19H,7,10-11,15H2,1-3H3,(H,26,28).
What are the key properties of tert-butyl 2-[6-(benzamidomethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-1-carboxylate?
tert-butyl 2-[6-(benzamidomethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 421.50 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[6-(benzamidomethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 19597635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).