N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(3-oxothiomorpholin-4-yl)furo[2,3-c]pyridine-5-carboxamide

C18H20N4O3S — CID 90988866

IUPACN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(3-oxothiomorpholin-4-yl)furo[2,3-c]pyridine-5-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1cc2c(N3CCSCC3=O)coc2cn1
InChIInChI=1S/C18H20N4O3S/c23-17-9-26-4-3-22(17)15-8-25-16-7-19-14(6-11(15)16)18(24)21-13-5-10-1-2-12(13)20-10/h6-8,10,12-13,20H,1-5,9H2,(H,21,24)/t10-,12+,13-/m1/s1
InChIKeyXBKSCQDFCGWYBK-KGYLQXTDSA-N
MW372.45 g/mol
LogP1.53
Rot. Bonds3

About N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(3-oxothiomorpholin-4-yl)furo[2,3-c]pyridine-5-carboxamide

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(3-oxothiomorpholin-4-yl)furo[2,3-c]pyridine-5-carboxamide (PubChem CID 90988866) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(3-oxothiomorpholin-4-yl)furo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(3-oxothiomorpholin-4-yl)furo[2,3-c]pyridine-5-carboxamide
PubChem CID90988866
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(3-oxothiomorpholin-4-yl)furo[2,3-c]pyridine-5-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1cc2c(N3CCSCC3=O)coc2cn1
InChIInChI=1S/C18H20N4O3S/c23-17-9-26-4-3-22(17)15-8-25-16-7-19-14(6-11(15)16)18(24)21-13-5-10-1-2-12(13)20-10/h6-8,10,12-13,20H,1-5,9H2,(H,21,24)/t10-,12+,13-/m1/s1
InChIKeyXBKSCQDFCGWYBK-KGYLQXTDSA-N
XLogP1.53
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(3-oxothiomorpholin-4-yl)furo[2,3-c]pyridine-5-carboxamide with MolForge

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Related Compounds

N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methylfuro[2,3-c]pyridine-5-carboxamide;dihydrochloride
CID 162321357
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(3-oxothiomorpholin-4-yl)-1-benzothiophene-5-carboxamide
CID 90746856
N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-pyrrolidin-1-ylfuro[2,3-c]pyridine-5-carboxamide
CID 22389428
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-piperidin-1-yl-1-benzofuran-5-carboxamide
CID 91253874
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(azetidine-1-carbonyl)thieno[2,3-c]pyridine-5-carboxamide
CID 91577329
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-thiomorpholin-4-ylfuro[2,3-c]pyridine-5-carboxamide
CID 66814917
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-chloro-5-hydroxypyridine-2-carboxamide
CID 23598720
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-piperidin-1-ylfuro[3,2-c]pyridine-6-carboxamide
CID 91125806
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-ethenylfuro[3,2-c]pyridine-6-carboxamide
CID 91251309
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-chloro-5-fluoropyridine-2-carboxamide
CID 23598718
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-formylthieno[2,3-c]pyridine-5-carboxamide
CID 90995852
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide
CID 91249013

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(3-oxothiomorpholin-4-yl)furo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(3-oxothiomorpholin-4-yl)furo[2,3-c]pyridine-5-carboxamide (CID 90988866) is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(3-oxothiomorpholin-4-yl)furo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(3-oxothiomorpholin-4-yl)furo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(3-oxothiomorpholin-4-yl)furo[2,3-c]pyridine-5-carboxamide is O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1cc2c(N3CCSCC3=O)coc2cn1.
What is the InChIKey of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(3-oxothiomorpholin-4-yl)furo[2,3-c]pyridine-5-carboxamide?
The InChIKey is XBKSCQDFCGWYBK-KGYLQXTDSA-N. The full InChI is InChI=1S/C18H20N4O3S/c23-17-9-26-4-3-22(17)15-8-25-16-7-19-14(6-11(15)16)18(24)21-13-5-10-1-2-12(13)20-10/h6-8,10,12-13,20H,1-5,9H2,(H,21,24)/t10-,12+,13-/m1/s1.
What are the key properties of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(3-oxothiomorpholin-4-yl)furo[2,3-c]pyridine-5-carboxamide?
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(3-oxothiomorpholin-4-yl)furo[2,3-c]pyridine-5-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(3-oxothiomorpholin-4-yl)furo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 90988866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).