N-(1-adamantyl)-3-methylimidazo[1,5-a]pyridine-1-carboxamide;3-hydroxybenzonitrile

C26H28N4O2 — CID 160794891

IUPACN-(1-adamantyl)-3-methylimidazo[1,5-a]pyridine-1-carboxamide;3-hydroxybenzonitrile
SMILESCc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccn12.N#Cc1cccc(O)c1
InChIInChI=1S/C19H23N3O.C7H5NO/c1-12-20-17(16-4-2-3-5-22(12)16)18(23)21-19-9-13-6-14(10-19)8-15(7-13)11-19;8-5-6-2-1-3-7(9)4-6/h2-5,13-15H,6-11H2,1H3,(H,21,23);1-4,9H
InChIKeySCHTVFDONRPYOC-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.61
Rot. Bonds2

About N-(1-adamantyl)-3-methylimidazo[1,5-a]pyridine-1-carboxamide;3-hydroxybenzonitrile

N-(1-adamantyl)-3-methylimidazo[1,5-a]pyridine-1-carboxamide;3-hydroxybenzonitrile (PubChem CID 160794891) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-(1-adamantyl)-3-methylimidazo[1,5-a]pyridine-1-carboxamide;3-hydroxybenzonitrile.

Molecular Properties

Compound NameN-(1-adamantyl)-3-methylimidazo[1,5-a]pyridine-1-carboxamide;3-hydroxybenzonitrile
PubChem CID160794891
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC NameN-(1-adamantyl)-3-methylimidazo[1,5-a]pyridine-1-carboxamide;3-hydroxybenzonitrile
SMILESCc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccn12.N#Cc1cccc(O)c1
InChIInChI=1S/C19H23N3O.C7H5NO/c1-12-20-17(16-4-2-3-5-22(12)16)18(23)21-19-9-13-6-14(10-19)8-15(7-13)11-19;8-5-6-2-1-3-7(9)4-6/h2-5,13-15H,6-11H2,1H3,(H,21,23);1-4,9H
InChIKeySCHTVFDONRPYOC-UHFFFAOYSA-N
XLogP4.61
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-methylimidazo[1,5-a]pyridine-1-carboxamide;3-hydroxybenzonitrile?
The IUPAC name of N-(1-adamantyl)-3-methylimidazo[1,5-a]pyridine-1-carboxamide;3-hydroxybenzonitrile (CID 160794891) is N-(1-adamantyl)-3-methylimidazo[1,5-a]pyridine-1-carboxamide;3-hydroxybenzonitrile.
What is the SMILES notation for N-(1-adamantyl)-3-methylimidazo[1,5-a]pyridine-1-carboxamide;3-hydroxybenzonitrile?
The canonical SMILES for N-(1-adamantyl)-3-methylimidazo[1,5-a]pyridine-1-carboxamide;3-hydroxybenzonitrile is Cc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccn12.N#Cc1cccc(O)c1.
What is the InChIKey of N-(1-adamantyl)-3-methylimidazo[1,5-a]pyridine-1-carboxamide;3-hydroxybenzonitrile?
The InChIKey is SCHTVFDONRPYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O.C7H5NO/c1-12-20-17(16-4-2-3-5-22(12)16)18(23)21-19-9-13-6-14(10-19)8-15(7-13)11-19;8-5-6-2-1-3-7(9)4-6/h2-5,13-15H,6-11H2,1H3,(H,21,23);1-4,9H.
What are the key properties of N-(1-adamantyl)-3-methylimidazo[1,5-a]pyridine-1-carboxamide;3-hydroxybenzonitrile?
N-(1-adamantyl)-3-methylimidazo[1,5-a]pyridine-1-carboxamide;3-hydroxybenzonitrile has a molecular weight of 428.54 g/mol, XLogP of 4.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-methylimidazo[1,5-a]pyridine-1-carboxamide;3-hydroxybenzonitrile is sourced from PubChem (CID 160794891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).