N-(1-adamantyl)-4-oxo-1H-pyridine-3-carboxamide

C16H20N2O2 — CID 103337054

IUPACN-(1-adamantyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1c[nH]ccc1=O
InChIInChI=1S/C16H20N2O2/c19-14-1-2-17-9-13(14)15(20)18-16-6-10-3-11(7-16)5-12(4-10)8-16/h1-2,9-12H,3-8H2,(H,17,19)(H,18,20)
InChIKeyIGYYGWOKFJMRSA-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.07
Rot. Bonds2

About N-(1-adamantyl)-4-oxo-1H-pyridine-3-carboxamide

N-(1-adamantyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103337054) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(1-adamantyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103337054
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(1-adamantyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1c[nH]ccc1=O
InChIInChI=1S/C16H20N2O2/c19-14-1-2-17-9-13(14)15(20)18-16-6-10-3-11(7-16)5-12(4-10)8-16/h1-2,9-12H,3-8H2,(H,17,19)(H,18,20)
InChIKeyIGYYGWOKFJMRSA-UHFFFAOYSA-N
XLogP2.07
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-4-oxo-1H-pyridine-3-carboxamide
CID 103336788
N-(1-adamantyl)-4-hydroxy-2-methylbenzamide
CID 103863609
4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide
CID 106741440
N-(1-adamantyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261645
N-(1-adamantyl)-2,5-dimethylbenzamide
CID 7732516
N-(1-adamantyl)-4-chlorobenzamide
CID 2848134
N-(1-adamantyl)-4-sulfanylbenzamide
CID 107019898
N-(1-adamantyl)-2-(trifluoromethyl)benzamide
CID 3118948
N-(1-adamantyl)-5-fluoro-2-hydroxybenzamide
CID 115298818
N-(1-adamantyl)-4-chloro-2-fluorobenzamide
CID 46697450
N-(1-adamantyl)-5,8-dimethoxy-4-oxo-1H-quinoline-3-carboxamide
CID 53318301
N-(1-adamantyl)-4-fluoro-2-methylbenzamide
CID 115745078

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-4-oxo-1H-pyridine-3-carboxamide (CID 103337054) is N-(1-adamantyl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-4-oxo-1H-pyridine-3-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1c[nH]ccc1=O.
What is the InChIKey of N-(1-adamantyl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is IGYYGWOKFJMRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-14-1-2-17-9-13(14)15(20)18-16-6-10-3-11(7-16)5-12(4-10)8-16/h1-2,9-12H,3-8H2,(H,17,19)(H,18,20).
What are the key properties of N-(1-adamantyl)-4-oxo-1H-pyridine-3-carboxamide?
N-(1-adamantyl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103337054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).