N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-bromofuro[2,3-c]pyridine-5-carboxamide

C15H16BrN3O2 — CID 66815107

IUPACN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-bromofuro[2,3-c]pyridine-5-carboxamide
SMILESO=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1cc2cc(Br)oc2cn1
InChIInChI=1S/C15H16BrN3O2/c16-14-5-10-4-12(17-6-13(10)21-14)15(20)18-11-3-9-1-2-19(7-9)8-11/h4-6,9,11H,1-3,7-8H2,(H,18,20)/t9-,11+/m0/s1
InChIKeyHDUCRXAGWRGVPD-GXSJLCMTSA-N
MW350.22 g/mol
LogP2.41
Rot. Bonds2

About N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-bromofuro[2,3-c]pyridine-5-carboxamide

N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-bromofuro[2,3-c]pyridine-5-carboxamide (PubChem CID 66815107) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-bromofuro[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-bromofuro[2,3-c]pyridine-5-carboxamide
PubChem CID66815107
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC NameN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-bromofuro[2,3-c]pyridine-5-carboxamide
SMILESO=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1cc2cc(Br)oc2cn1
InChIInChI=1S/C15H16BrN3O2/c16-14-5-10-4-12(17-6-13(10)21-14)15(20)18-11-3-9-1-2-19(7-9)8-11/h4-6,9,11H,1-3,7-8H2,(H,18,20)/t9-,11+/m0/s1
InChIKeyHDUCRXAGWRGVPD-GXSJLCMTSA-N
XLogP2.41
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-bromofuro[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-bromofuro[2,3-c]pyridine-5-carboxamide (CID 66815107) is N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-bromofuro[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-bromofuro[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-bromofuro[2,3-c]pyridine-5-carboxamide is O=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1cc2cc(Br)oc2cn1.
What is the InChIKey of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-bromofuro[2,3-c]pyridine-5-carboxamide?
The InChIKey is HDUCRXAGWRGVPD-GXSJLCMTSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c16-14-5-10-4-12(17-6-13(10)21-14)15(20)18-11-3-9-1-2-19(7-9)8-11/h4-6,9,11H,1-3,7-8H2,(H,18,20)/t9-,11+/m0/s1.
What are the key properties of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-bromofuro[2,3-c]pyridine-5-carboxamide?
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-bromofuro[2,3-c]pyridine-5-carboxamide has a molecular weight of 350.22 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-bromofuro[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 66815107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).