N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-methylsulfanylfuro[3,2-c]pyridine-6-carboxamide

C15H17N3O2S — CID 20806909

IUPACN-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-methylsulfanylfuro[3,2-c]pyridine-6-carboxamide
SMILESCSc1cc2cnc(C(=O)NC3CN4CC[C@H]3C4)cc2o1
InChIInChI=1S/C15H17N3O2S/c1-21-14-4-10-6-16-11(5-13(10)20-14)15(19)17-12-8-18-3-2-9(12)7-18/h4-6,9,12H,2-3,7-8H2,1H3,(H,17,19)/t9-,12?/m0/s1
InChIKeyZXRDOHUQVYVDJV-QHGLUPRGSA-N
MW303.39 g/mol
LogP1.98
Rot. Bonds3

About N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-methylsulfanylfuro[3,2-c]pyridine-6-carboxamide

N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-methylsulfanylfuro[3,2-c]pyridine-6-carboxamide (PubChem CID 20806909) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-methylsulfanylfuro[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-methylsulfanylfuro[3,2-c]pyridine-6-carboxamide
PubChem CID20806909
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-methylsulfanylfuro[3,2-c]pyridine-6-carboxamide
SMILESCSc1cc2cnc(C(=O)NC3CN4CC[C@H]3C4)cc2o1
InChIInChI=1S/C15H17N3O2S/c1-21-14-4-10-6-16-11(5-13(10)20-14)15(19)17-12-8-18-3-2-9(12)7-18/h4-6,9,12H,2-3,7-8H2,1H3,(H,17,19)/t9-,12?/m0/s1
InChIKeyZXRDOHUQVYVDJV-QHGLUPRGSA-N
XLogP1.98
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-methylsulfanylfuro[3,2-c]pyridine-6-carboxamide?
The IUPAC name of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-methylsulfanylfuro[3,2-c]pyridine-6-carboxamide (CID 20806909) is N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-methylsulfanylfuro[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-methylsulfanylfuro[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-methylsulfanylfuro[3,2-c]pyridine-6-carboxamide is CSc1cc2cnc(C(=O)NC3CN4CC[C@H]3C4)cc2o1.
What is the InChIKey of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-methylsulfanylfuro[3,2-c]pyridine-6-carboxamide?
The InChIKey is ZXRDOHUQVYVDJV-QHGLUPRGSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-21-14-4-10-6-16-11(5-13(10)20-14)15(19)17-12-8-18-3-2-9(12)7-18/h4-6,9,12H,2-3,7-8H2,1H3,(H,17,19)/t9-,12?/m0/s1.
What are the key properties of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-methylsulfanylfuro[3,2-c]pyridine-6-carboxamide?
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-methylsulfanylfuro[3,2-c]pyridine-6-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-methylsulfanylfuro[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 20806909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).