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

C15H16IN3O2 — CID 66814653

IUPACN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-iodofuro[2,3-c]pyridine-5-carboxamide
SMILESO=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1cc2c(I)coc2cn1
InChIInChI=1S/C15H16IN3O2/c16-12-8-21-14-5-17-13(4-11(12)14)15(20)18-10-3-9-1-2-19(6-9)7-10/h4-5,8-10H,1-3,6-7H2,(H,18,20)/t9-,10+/m0/s1
InChIKeyOVLDNTXEOKGVRI-VHSXEESVSA-N
MW397.22 g/mol
LogP2.26
Rot. Bonds2

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

N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-iodofuro[2,3-c]pyridine-5-carboxamide (PubChem CID 66814653) has the molecular formula C15H16IN3O2 and a molecular weight of 397.22 g/mol. Its IUPAC name is N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-iodofuro[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-iodofuro[2,3-c]pyridine-5-carboxamide
PubChem CID66814653
Molecular FormulaC15H16IN3O2
Molecular Weight397.22 g/mol
Exact Mass397.03
IUPAC NameN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-iodofuro[2,3-c]pyridine-5-carboxamide
SMILESO=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1cc2c(I)coc2cn1
InChIInChI=1S/C15H16IN3O2/c16-12-8-21-14-5-17-13(4-11(12)14)15(20)18-10-3-9-1-2-19(6-9)7-10/h4-5,8-10H,1-3,6-7H2,(H,18,20)/t9-,10+/m0/s1
InChIKeyOVLDNTXEOKGVRI-VHSXEESVSA-N
XLogP2.26
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.22
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-bromofuro[2,3-c]pyridine-5-carboxamide
CID 66814602
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-fluorofuro[2,3-c]pyridine-5-carboxamide
CID 66814299
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-formylfuro[2,3-c]pyridine-5-carboxamide
CID 87166132
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-(2,2,2-trifluoroacetyl)furo[2,3-c]pyridine-5-carboxamide
CID 66814815
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-thiomorpholin-4-ylfuro[2,3-c]pyridine-5-carboxamide
CID 66814917
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(morpholine-4-carbonyl)furo[2,3-c]pyridine-5-carboxamide
CID 66814601
N-(1-azabicyclo[3.2.1]octan-3-yl)-3-(4-methylpiperazine-1-carbonyl)furo[2,3-c]pyridine-5-carboxamide
CID 22389418
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-cyanofuro[3,2-c]pyridine-6-carboxamide
CID 66815146
N-(1-azabicyclo[3.2.1]octan-3-yl)-3-ethynylfuro[3,2-c]pyridine-6-carboxamide
CID 22389154
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide;hydrochloride
CID 25014728
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-bromofuro[2,3-c]pyridine-5-carboxamide
CID 66815107
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylfuro[3,2-c]pyridine-6-carboxamide
CID 66814738

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-iodofuro[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-iodofuro[2,3-c]pyridine-5-carboxamide (CID 66814653) is N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-iodofuro[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-iodofuro[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-iodofuro[2,3-c]pyridine-5-carboxamide is O=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1cc2c(I)coc2cn1.
What is the InChIKey of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-iodofuro[2,3-c]pyridine-5-carboxamide?
The InChIKey is OVLDNTXEOKGVRI-VHSXEESVSA-N. The full InChI is InChI=1S/C15H16IN3O2/c16-12-8-21-14-5-17-13(4-11(12)14)15(20)18-10-3-9-1-2-19(6-9)7-10/h4-5,8-10H,1-3,6-7H2,(H,18,20)/t9-,10+/m0/s1.
What are the key properties of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-iodofuro[2,3-c]pyridine-5-carboxamide?
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-iodofuro[2,3-c]pyridine-5-carboxamide has a molecular weight of 397.22 g/mol, XLogP of 2.26, 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]-3-iodofuro[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 66814653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).