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

C17H17N3O3 — CID 20806885

IUPACN-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-(3-hydroxyprop-1-ynyl)furo[3,2-c]pyridine-6-carboxamide
SMILESO=C(NC1CN2CC[C@H]1C2)c1cc2oc(C#CCO)cc2cn1
InChIInChI=1S/C17H17N3O3/c21-5-1-2-13-6-12-8-18-14(7-16(12)23-13)17(22)19-15-10-20-4-3-11(15)9-20/h6-8,11,15,21H,3-5,9-10H2,(H,19,22)/t11-,15?/m0/s1
InChIKeyNIGGPXRBUXNSAW-VPHXOMNUSA-N
MW311.34 g/mol
LogP0.61
Rot. Bonds2

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

N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-(3-hydroxyprop-1-ynyl)furo[3,2-c]pyridine-6-carboxamide (PubChem CID 20806885) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-(3-hydroxyprop-1-ynyl)furo[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-(3-hydroxyprop-1-ynyl)furo[3,2-c]pyridine-6-carboxamide
PubChem CID20806885
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-(3-hydroxyprop-1-ynyl)furo[3,2-c]pyridine-6-carboxamide
SMILESO=C(NC1CN2CC[C@H]1C2)c1cc2oc(C#CCO)cc2cn1
InChIInChI=1S/C17H17N3O3/c21-5-1-2-13-6-12-8-18-14(7-16(12)23-13)17(22)19-15-10-20-4-3-11(15)9-20/h6-8,11,15,21H,3-5,9-10H2,(H,19,22)/t11-,15?/m0/s1
InChIKeyNIGGPXRBUXNSAW-VPHXOMNUSA-N
XLogP0.61
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-azabicyclo[2.2.1]heptan-3-yl)-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide
CID 22389236
N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3-hydroxyprop-1-ynyl)thieno[2,3-c]pyridine-5-carboxamide
CID 22389279
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-imidazol-1-ylfuro[3,2-c]pyridine-6-carboxamide
CID 22047270
N-(1-azabicyclo[2.2.1]heptan-3-yl)-6-cyanoisoquinoline-3-carboxamide
CID 22243610
methyl 3-[6-(1-azabicyclo[2.2.1]heptan-3-ylcarbamoyl)thieno[3,2-c]pyridin-2-yl]prop-2-ynoate
CID 22389273
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-(11C)carboxamide
CID 10084487
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethynylisoquinoline-3-carboxamide
CID 22243597
N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-ethenylfuro[2,3-c]pyridine-5-carboxamide
CID 22389168
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-ethenylfuro[3,2-c]pyridine-6-carboxamide
CID 66814884
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-(2-azabicyclo[2.2.1]heptan-5-yl)-2-cyanofuro[3,2-c]pyridine-6-carboxamide
CID 22389296

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-(3-hydroxyprop-1-ynyl)furo[3,2-c]pyridine-6-carboxamide?
The IUPAC name of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-(3-hydroxyprop-1-ynyl)furo[3,2-c]pyridine-6-carboxamide (CID 20806885) is N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-(3-hydroxyprop-1-ynyl)furo[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-(3-hydroxyprop-1-ynyl)furo[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-(3-hydroxyprop-1-ynyl)furo[3,2-c]pyridine-6-carboxamide is O=C(NC1CN2CC[C@H]1C2)c1cc2oc(C#CCO)cc2cn1.
What is the InChIKey of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-(3-hydroxyprop-1-ynyl)furo[3,2-c]pyridine-6-carboxamide?
The InChIKey is NIGGPXRBUXNSAW-VPHXOMNUSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-5-1-2-13-6-12-8-18-14(7-16(12)23-13)17(22)19-15-10-20-4-3-11(15)9-20/h6-8,11,15,21H,3-5,9-10H2,(H,19,22)/t11-,15?/m0/s1.
What are the key properties of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-(3-hydroxyprop-1-ynyl)furo[3,2-c]pyridine-6-carboxamide?
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-(3-hydroxyprop-1-ynyl)furo[3,2-c]pyridine-6-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 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-(3-hydroxyprop-1-ynyl)furo[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 20806885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).