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

C16H19N3O4S — CID 66814350

IUPACN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylsulfonylfuro[3,2-c]pyridine-6-carboxamide
SMILESCS(=O)(=O)c1cc2cnc(C(=O)N[C@@H]3C[C@@H]4CCN(C4)C3)cc2o1
InChIInChI=1S/C16H19N3O4S/c1-24(21,22)15-5-11-7-17-13(6-14(11)23-15)16(20)18-12-4-10-2-3-19(8-10)9-12/h5-7,10,12H,2-4,8-9H2,1H3,(H,18,20)/t10-,12+/m0/s1
InChIKeyDRTBUVMCZPEIIX-CMPLNLGQSA-N
MW349.41 g/mol
LogP1.06
Rot. Bonds3

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

N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylsulfonylfuro[3,2-c]pyridine-6-carboxamide (PubChem CID 66814350) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylsulfonylfuro[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylsulfonylfuro[3,2-c]pyridine-6-carboxamide
PubChem CID66814350
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylsulfonylfuro[3,2-c]pyridine-6-carboxamide
SMILESCS(=O)(=O)c1cc2cnc(C(=O)N[C@@H]3C[C@@H]4CCN(C4)C3)cc2o1
InChIInChI=1S/C16H19N3O4S/c1-24(21,22)15-5-11-7-17-13(6-14(11)23-15)16(20)18-12-4-10-2-3-19(8-10)9-12/h5-7,10,12H,2-4,8-9H2,1H3,(H,18,20)/t10-,12+/m0/s1
InChIKeyDRTBUVMCZPEIIX-CMPLNLGQSA-N
XLogP1.06
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-sulfanylfuro[3,2-c]pyridine-6-carboxamide
CID 66815047
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-ethenylfuro[3,2-c]pyridine-6-carboxamide
CID 66814884
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
2-acetamido-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide
CID 66814808
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]-3-fluorofuro[2,3-c]pyridine-5-carboxamide
CID 66814299
N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(cyclopropylamino)thieno[3,2-c]pyridine-6-carboxamide
CID 22389351
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

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylsulfonylfuro[3,2-c]pyridine-6-carboxamide?
The IUPAC name of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylsulfonylfuro[3,2-c]pyridine-6-carboxamide (CID 66814350) is N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylsulfonylfuro[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylsulfonylfuro[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylsulfonylfuro[3,2-c]pyridine-6-carboxamide is CS(=O)(=O)c1cc2cnc(C(=O)N[C@@H]3C[C@@H]4CCN(C4)C3)cc2o1.
What is the InChIKey of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylsulfonylfuro[3,2-c]pyridine-6-carboxamide?
The InChIKey is DRTBUVMCZPEIIX-CMPLNLGQSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-24(21,22)15-5-11-7-17-13(6-14(11)23-15)16(20)18-12-4-10-2-3-19(8-10)9-12/h5-7,10,12H,2-4,8-9H2,1H3,(H,18,20)/t10-,12+/m0/s1.
What are the key properties of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylsulfonylfuro[3,2-c]pyridine-6-carboxamide?
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylsulfonylfuro[3,2-c]pyridine-6-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylsulfonylfuro[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 66814350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).