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

C22H19N3O2 — CID 91221146

IUPACN-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(2-phenylethynyl)furo[2,3-c]pyridine-7-carboxamide
SMILESO=C(NC1CN2CC[C@H]1C2)c1nccc2c(C#Cc3ccccc3)coc12
InChIInChI=1S/C22H19N3O2/c26-22(24-19-13-25-11-9-16(19)12-25)20-21-18(8-10-23-20)17(14-27-21)7-6-15-4-2-1-3-5-15/h1-5,8,10,14,16,19H,9,11-13H2,(H,24,26)/t16-,19?/m0/s1
InChIKeyVEYSDPZUGFPTJN-UCFFOFKASA-N
MW357.41 g/mol
LogP2.66
Rot. Bonds2

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

N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(2-phenylethynyl)furo[2,3-c]pyridine-7-carboxamide (PubChem CID 91221146) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(2-phenylethynyl)furo[2,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(2-phenylethynyl)furo[2,3-c]pyridine-7-carboxamide
PubChem CID91221146
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(2-phenylethynyl)furo[2,3-c]pyridine-7-carboxamide
SMILESO=C(NC1CN2CC[C@H]1C2)c1nccc2c(C#Cc3ccccc3)coc12
InChIInChI=1S/C22H19N3O2/c26-22(24-19-13-25-11-9-16(19)12-25)20-21-18(8-10-23-20)17(14-27-21)7-6-15-4-2-1-3-5-15/h1-5,8,10,14,16,19H,9,11-13H2,(H,24,26)/t16-,19?/m0/s1
InChIKeyVEYSDPZUGFPTJN-UCFFOFKASA-N
XLogP2.66
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4R)-1-azabicyclo[2.2.1]heptan-3-yl]furo[2,3-c]pyridine-7-carboxamide
CID 90975786
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-ethylfuro[2,3-c]pyridine-7-carboxamide
CID 91191836
N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-5-phenylfuran-2-carboxamide
CID 59113576
N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 59113572
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide
CID 22573649
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenyl-1,3-oxazole-2-carboxamide
CID 59923485
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-(2-fluorophenyl)-1,3-oxazole-2-carboxamide
CID 20815067
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-methyl-5-phenyl-1,3-thiazole-2-carboxamide
CID 22350586
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-(2-phenylethynyl)-6H-thieno[3,2-c]pyridine-5-carboxamide
CID 20806911
N-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-benzoxazole-6-carboxamide
CID 22591329
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-phenyl-1H-indazole-3-carboxamide
CID 10363115

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(2-phenylethynyl)furo[2,3-c]pyridine-7-carboxamide?
The IUPAC name of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(2-phenylethynyl)furo[2,3-c]pyridine-7-carboxamide (CID 91221146) is N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(2-phenylethynyl)furo[2,3-c]pyridine-7-carboxamide.
What is the SMILES notation for N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(2-phenylethynyl)furo[2,3-c]pyridine-7-carboxamide?
The canonical SMILES for N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(2-phenylethynyl)furo[2,3-c]pyridine-7-carboxamide is O=C(NC1CN2CC[C@H]1C2)c1nccc2c(C#Cc3ccccc3)coc12.
What is the InChIKey of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(2-phenylethynyl)furo[2,3-c]pyridine-7-carboxamide?
The InChIKey is VEYSDPZUGFPTJN-UCFFOFKASA-N. The full InChI is InChI=1S/C22H19N3O2/c26-22(24-19-13-25-11-9-16(19)12-25)20-21-18(8-10-23-20)17(14-27-21)7-6-15-4-2-1-3-5-15/h1-5,8,10,14,16,19H,9,11-13H2,(H,24,26)/t16-,19?/m0/s1.
What are the key properties of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(2-phenylethynyl)furo[2,3-c]pyridine-7-carboxamide?
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(2-phenylethynyl)furo[2,3-c]pyridine-7-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(2-phenylethynyl)furo[2,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 91221146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).