N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide

C17H15BrN2O2 — CID 141444031

IUPACN-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCc2cccc(Br)c21)C1COc2ncccc21
InChIInChI=1S/C17H15BrN2O2/c18-13-5-1-3-10-6-7-14(15(10)13)20-16(21)12-9-22-17-11(12)4-2-8-19-17/h1-5,8,12,14H,6-7,9H2,(H,20,21)/t12?,14-/m1/s1
InChIKeyNZCFDDMETPJUAL-TYZXPVIJSA-N
MW359.22 g/mol
LogP3.12
Rot. Bonds2

About N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide

N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide (PubChem CID 141444031) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
PubChem CID141444031
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC NameN-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCc2cccc(Br)c21)C1COc2ncccc21
InChIInChI=1S/C17H15BrN2O2/c18-13-5-1-3-10-6-7-14(15(10)13)20-16(21)12-9-22-17-11(12)4-2-8-19-17/h1-5,8,12,14H,6-7,9H2,(H,20,21)/t12?,14-/m1/s1
InChIKeyNZCFDDMETPJUAL-TYZXPVIJSA-N
XLogP3.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-[(1R)-8-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
CID 71699647
tert-butyl N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]carbamate
CID 125470418
N-(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
CID 128900674
3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 103981419
N-(2,3-dihydro-1H-inden-1-yl)cyclobutanecarboxamide
CID 47129715
2-(4-chlorophenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
CID 71239312
2,3-dihydrofuro[2,3-b]pyridin-3-yl hydrogen carbonate
CID 118588931
[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl] hydrogen carbonate
CID 118588745
(1S)-7-bromo-2,3-dihydro-1H-inden-1-ol
CID 129246818
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)piperidine-2-carboxamide;hydrochloride
CID 119317722
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)piperidine-3-carboxamide
CID 119317747
4-(3-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 107519258

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide (CID 141444031) is N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide is O=C(N[C@@H]1CCc2cccc(Br)c21)C1COc2ncccc21.
What is the InChIKey of N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
The InChIKey is NZCFDDMETPJUAL-TYZXPVIJSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c18-13-5-1-3-10-6-7-14(15(10)13)20-16(21)12-9-22-17-11(12)4-2-8-19-17/h1-5,8,12,14H,6-7,9H2,(H,20,21)/t12?,14-/m1/s1.
What are the key properties of N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide has a molecular weight of 359.22 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 141444031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).