N-(1-adamantyl)-1-[hydroxy(pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide

C24H26N4O2 — CID 69003787

IUPACN-(1-adamantyl)-1-[hydroxy(pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1nc(C(O)c2cccnc2)c2ccccn12
InChIInChI=1S/C24H26N4O2/c29-21(18-4-3-6-25-14-18)20-19-5-1-2-7-28(19)22(26-20)23(30)27-24-11-15-8-16(12-24)10-17(9-15)13-24/h1-7,14-17,21,29H,8-13H2,(H,27,30)
InChIKeyINBYZTBXXIUGMV-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.51
Rot. Bonds4

About N-(1-adamantyl)-1-[hydroxy(pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide

N-(1-adamantyl)-1-[hydroxy(pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 69003787) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(1-adamantyl)-1-[hydroxy(pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-[hydroxy(pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID69003787
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-(1-adamantyl)-1-[hydroxy(pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1nc(C(O)c2cccnc2)c2ccccn12
InChIInChI=1S/C24H26N4O2/c29-21(18-4-3-6-25-14-18)20-19-5-1-2-7-28(19)22(26-20)23(30)27-24-11-15-8-16(12-24)10-17(9-15)13-24/h1-7,14-17,21,29H,8-13H2,(H,27,30)
InChIKeyINBYZTBXXIUGMV-UHFFFAOYSA-N
XLogP3.51
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-[hydroxy(pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-[hydroxy(pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide (CID 69003787) is N-(1-adamantyl)-1-[hydroxy(pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-[hydroxy(pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-[hydroxy(pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1nc(C(O)c2cccnc2)c2ccccn12.
What is the InChIKey of N-(1-adamantyl)-1-[hydroxy(pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is INBYZTBXXIUGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c29-21(18-4-3-6-25-14-18)20-19-5-1-2-7-28(19)22(26-20)23(30)27-24-11-15-8-16(12-24)10-17(9-15)13-24/h1-7,14-17,21,29H,8-13H2,(H,27,30).
What are the key properties of N-(1-adamantyl)-1-[hydroxy(pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide?
N-(1-adamantyl)-1-[hydroxy(pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-[hydroxy(pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 69003787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).