N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

C17H25N3O — CID 84578739

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESCC(NC(=O)C1CCn2cncc2C1)C1CC2CCC1C2
InChIInChI=1S/C17H25N3O/c1-11(16-7-12-2-3-13(16)6-12)19-17(21)14-4-5-20-10-18-9-15(20)8-14/h9-14,16H,2-8H2,1H3,(H,19,21)
InChIKeyRKAXZTOCINNMMK-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.39
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (PubChem CID 84578739) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
PubChem CID84578739
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESCC(NC(=O)C1CCn2cncc2C1)C1CC2CCC1C2
InChIInChI=1S/C17H25N3O/c1-11(16-7-12-2-3-13(16)6-12)19-17(21)14-4-5-20-10-18-9-15(20)8-14/h9-14,16H,2-8H2,1H3,(H,19,21)
InChIKeyRKAXZTOCINNMMK-UHFFFAOYSA-N
XLogP2.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (CID 84578739) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is CC(NC(=O)C1CCn2cncc2C1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The InChIKey is RKAXZTOCINNMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-11(16-7-12-2-3-13(16)6-12)19-17(21)14-4-5-20-10-18-9-15(20)8-14/h9-14,16H,2-8H2,1H3,(H,19,21).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 84578739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).