N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3-hydroxyprop-1-ynyl)thieno[2,3-c]pyridine-5-carboxamide

C17H17N3O2S — CID 22389279

IUPACN-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3-hydroxyprop-1-ynyl)thieno[2,3-c]pyridine-5-carboxamide
SMILESO=C(NC1CN2CCC1C2)c1cc2c(C#CCO)csc2cn1
InChIInChI=1S/C17H17N3O2S/c21-5-1-2-12-10-23-16-7-18-14(6-13(12)16)17(22)19-15-9-20-4-3-11(15)8-20/h6-7,10-11,15,21H,3-5,8-9H2,(H,19,22)
InChIKeyNLOSBVGIUMUILV-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.07
Rot. Bonds2

About N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3-hydroxyprop-1-ynyl)thieno[2,3-c]pyridine-5-carboxamide

N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3-hydroxyprop-1-ynyl)thieno[2,3-c]pyridine-5-carboxamide (PubChem CID 22389279) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3-hydroxyprop-1-ynyl)thieno[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3-hydroxyprop-1-ynyl)thieno[2,3-c]pyridine-5-carboxamide
PubChem CID22389279
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3-hydroxyprop-1-ynyl)thieno[2,3-c]pyridine-5-carboxamide
SMILESO=C(NC1CN2CCC1C2)c1cc2c(C#CCO)csc2cn1
InChIInChI=1S/C17H17N3O2S/c21-5-1-2-12-10-23-16-7-18-14(6-13(12)16)17(22)19-15-9-20-4-3-11(15)8-20/h6-7,10-11,15,21H,3-5,8-9H2,(H,19,22)
InChIKeyNLOSBVGIUMUILV-UHFFFAOYSA-N
XLogP1.07
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.07
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)-3-ethenylthieno[2,3-c]pyridine-5-carboxamide
CID 22389089
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide
CID 20806941
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-(3-hydroxyprop-1-ynyl)furo[3,2-c]pyridine-6-carboxamide
CID 20806885
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide
CID 87925247
N-(1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide
CID 22047030
methyl 3-[6-(1-azabicyclo[2.2.1]heptan-3-ylcarbamoyl)thieno[3,2-c]pyridin-2-yl]prop-2-ynoate
CID 22389273
N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-ethenylfuro[2,3-c]pyridine-5-carboxamide
CID 22389168
methyl 3-[5-[[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]carbamoyl]thieno[2,3-c]pyridin-3-yl]prop-2-ynoate
CID 90739734
N-(1-azabicyclo[2.2.1]heptan-3-yl)-6-cyanoisoquinoline-3-carboxamide
CID 22243610
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-chlorothieno[2,3-c]pyridine-5-carboxamide
CID 66814952
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[3,4-c]pyridine-6-carboxamide;methanesulfonic acid
CID 87925336
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-cyanoisoquinoline-3-carboxamide
CID 22243256

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3-hydroxyprop-1-ynyl)thieno[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3-hydroxyprop-1-ynyl)thieno[2,3-c]pyridine-5-carboxamide (CID 22389279) is N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3-hydroxyprop-1-ynyl)thieno[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3-hydroxyprop-1-ynyl)thieno[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3-hydroxyprop-1-ynyl)thieno[2,3-c]pyridine-5-carboxamide is O=C(NC1CN2CCC1C2)c1cc2c(C#CCO)csc2cn1.
What is the InChIKey of N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3-hydroxyprop-1-ynyl)thieno[2,3-c]pyridine-5-carboxamide?
The InChIKey is NLOSBVGIUMUILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c21-5-1-2-12-10-23-16-7-18-14(6-13(12)16)17(22)19-15-9-20-4-3-11(15)8-20/h6-7,10-11,15,21H,3-5,8-9H2,(H,19,22).
What are the key properties of N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3-hydroxyprop-1-ynyl)thieno[2,3-c]pyridine-5-carboxamide?
N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3-hydroxyprop-1-ynyl)thieno[2,3-c]pyridine-5-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3-hydroxyprop-1-ynyl)thieno[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 22389279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).