N-(3-hydroxy-2-pyridinyl)adamantane-1-carboxamide

C16H20N2O2 — CID 5282590

IUPACN-(3-hydroxy-2-pyridinyl)adamantane-1-carboxamide
SMILESO=C(Nc1ncccc1O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H20N2O2/c19-13-2-1-3-17-14(13)18-15(20)16-7-10-4-11(8-16)6-12(5-10)9-16/h1-3,10-12,19H,4-9H2,(H,17,18,20)
InChIKeyLFZPAEQMXXULLE-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.94
Rot. Bonds2

About N-(3-hydroxy-2-pyridinyl)adamantane-1-carboxamide

N-(3-hydroxy-2-pyridinyl)adamantane-1-carboxamide (PubChem CID 5282590) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(3-hydroxy-2-pyridinyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-pyridinyl)adamantane-1-carboxamide
PubChem CID5282590
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(3-hydroxy-2-pyridinyl)adamantane-1-carboxamide
SMILESO=C(Nc1ncccc1O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H20N2O2/c19-13-2-1-3-17-14(13)18-15(20)16-7-10-4-11(8-16)6-12(5-10)9-16/h1-3,10-12,19H,4-9H2,(H,17,18,20)
InChIKeyLFZPAEQMXXULLE-UHFFFAOYSA-N
XLogP2.94
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-pyridinyl)adamantane-1-carboxamide?
The IUPAC name of N-(3-hydroxy-2-pyridinyl)adamantane-1-carboxamide (CID 5282590) is N-(3-hydroxy-2-pyridinyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-pyridinyl)adamantane-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-pyridinyl)adamantane-1-carboxamide is O=C(Nc1ncccc1O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(3-hydroxy-2-pyridinyl)adamantane-1-carboxamide?
The InChIKey is LFZPAEQMXXULLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-13-2-1-3-17-14(13)18-15(20)16-7-10-4-11(8-16)6-12(5-10)9-16/h1-3,10-12,19H,4-9H2,(H,17,18,20).
What are the key properties of N-(3-hydroxy-2-pyridinyl)adamantane-1-carboxamide?
N-(3-hydroxy-2-pyridinyl)adamantane-1-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-pyridinyl)adamantane-1-carboxamide is sourced from PubChem (CID 5282590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).