N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-sulfanylfuro[3,2-c]pyridine-6-carboxamide

C15H17N3O2S — CID 66815047

IUPACN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-sulfanylfuro[3,2-c]pyridine-6-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2oc(S)cc2cn1
InChIInChI=1S/C15H17N3O2S/c19-15(17-11-3-9-1-2-18(7-9)8-11)12-5-13-10(6-16-12)4-14(21)20-13/h4-6,9,11,21H,1-3,7-8H2,(H,17,19)/t9-,11-/m1/s1
InChIKeyCDZGUFIFAAXJNK-MWLCHTKSSA-N
MW303.39 g/mol
LogP1.94
Rot. Bonds2

About N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-sulfanylfuro[3,2-c]pyridine-6-carboxamide

N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-sulfanylfuro[3,2-c]pyridine-6-carboxamide (PubChem CID 66815047) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-sulfanylfuro[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-sulfanylfuro[3,2-c]pyridine-6-carboxamide
PubChem CID66815047
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-sulfanylfuro[3,2-c]pyridine-6-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2oc(S)cc2cn1
InChIInChI=1S/C15H17N3O2S/c19-15(17-11-3-9-1-2-18(7-9)8-11)12-5-13-10(6-16-12)4-14(21)20-13/h4-6,9,11,21H,1-3,7-8H2,(H,17,19)/t9-,11-/m1/s1
InChIKeyCDZGUFIFAAXJNK-MWLCHTKSSA-N
XLogP1.94
TPSA58.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylfuro[3,2-c]pyridine-6-carboxamide
CID 66814738
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-ethenylfuro[3,2-c]pyridine-6-carboxamide
CID 66814884
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylsulfonylfuro[3,2-c]pyridine-6-carboxamide
CID 66814350
N-(1-azabicyclo[3.2.1]octan-3-yl)-2-morpholin-4-ylfuro[3,2-c]pyridine-6-carboxamide
CID 22389338
N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(piperazine-1-carbonyl)furo[3,2-c]pyridine-6-carboxamide
CID 22389313
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]furo[2,3-c]pyridine-5-carboxamide;hydrochloride
CID 25014728
2-acetamido-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide
CID 66814808
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]-2-morpholin-4-ylfuro[2,3-c]pyridine-5-carboxamide
CID 66814828
N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(pyrrolidine-1-carbonyl)furo[2,3-c]pyridine-5-carboxamide
CID 22389190
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-piperazin-1-ylfuro[2,3-c]pyridine-5-carboxamide
CID 66815150

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-sulfanylfuro[3,2-c]pyridine-6-carboxamide?
The IUPAC name of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-sulfanylfuro[3,2-c]pyridine-6-carboxamide (CID 66815047) is N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-sulfanylfuro[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-sulfanylfuro[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-sulfanylfuro[3,2-c]pyridine-6-carboxamide is O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2oc(S)cc2cn1.
What is the InChIKey of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-sulfanylfuro[3,2-c]pyridine-6-carboxamide?
The InChIKey is CDZGUFIFAAXJNK-MWLCHTKSSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-15(17-11-3-9-1-2-18(7-9)8-11)12-5-13-10(6-16-12)4-14(21)20-13/h4-6,9,11,21H,1-3,7-8H2,(H,17,19)/t9-,11-/m1/s1.
What are the key properties of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-sulfanylfuro[3,2-c]pyridine-6-carboxamide?
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-sulfanylfuro[3,2-c]pyridine-6-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-sulfanylfuro[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 66815047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).