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

C16H17N3O3 — CID 87166132

IUPACN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-formylfuro[2,3-c]pyridine-5-carboxamide
SMILESO=Cc1coc2cnc(C(=O)N[C@@H]3C[C@@H]4CCN(C4)C3)cc12
InChIInChI=1S/C16H17N3O3/c20-8-11-9-22-15-5-17-14(4-13(11)15)16(21)18-12-3-10-1-2-19(6-10)7-12/h4-5,8-10,12H,1-3,6-7H2,(H,18,21)/t10-,12+/m0/s1
InChIKeyJDHIIDVHVQIMNW-CMPLNLGQSA-N
MW299.33 g/mol
LogP1.46
Rot. Bonds3

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

N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-formylfuro[2,3-c]pyridine-5-carboxamide (PubChem CID 87166132) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-formylfuro[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-formylfuro[2,3-c]pyridine-5-carboxamide
PubChem CID87166132
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-formylfuro[2,3-c]pyridine-5-carboxamide
SMILESO=Cc1coc2cnc(C(=O)N[C@@H]3C[C@@H]4CCN(C4)C3)cc12
InChIInChI=1S/C16H17N3O3/c20-8-11-9-22-15-5-17-14(4-13(11)15)16(21)18-12-3-10-1-2-19(6-10)7-12/h4-5,8-10,12H,1-3,6-7H2,(H,18,21)/t10-,12+/m0/s1
InChIKeyJDHIIDVHVQIMNW-CMPLNLGQSA-N
XLogP1.46
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-formylfuro[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-formylfuro[2,3-c]pyridine-5-carboxamide (CID 87166132) is N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-formylfuro[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-formylfuro[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-formylfuro[2,3-c]pyridine-5-carboxamide is O=Cc1coc2cnc(C(=O)N[C@@H]3C[C@@H]4CCN(C4)C3)cc12.
What is the InChIKey of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-formylfuro[2,3-c]pyridine-5-carboxamide?
The InChIKey is JDHIIDVHVQIMNW-CMPLNLGQSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-8-11-9-22-15-5-17-14(4-13(11)15)16(21)18-12-3-10-1-2-19(6-10)7-12/h4-5,8-10,12H,1-3,6-7H2,(H,18,21)/t10-,12+/m0/s1.
What are the key properties of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-formylfuro[2,3-c]pyridine-5-carboxamide?
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-formylfuro[2,3-c]pyridine-5-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-formylfuro[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 87166132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).