N-(2-adamantyl)-3-(2-oxo-1-pyridinyl)propanamide

C18H24N2O2 — CID 78863432

IUPACN-(2-adamantyl)-3-(2-oxo-1-pyridinyl)propanamide
SMILESO=C(CCn1ccccc1=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H24N2O2/c21-16(4-6-20-5-2-1-3-17(20)22)19-18-14-8-12-7-13(10-14)11-15(18)9-12/h1-3,5,12-15,18H,4,6-11H2,(H,19,21)
InChIKeyFEZZCFMIVHNCTC-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.18
Rot. Bonds4

About N-(2-adamantyl)-3-(2-oxo-1-pyridinyl)propanamide

N-(2-adamantyl)-3-(2-oxo-1-pyridinyl)propanamide (PubChem CID 78863432) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-(2-adamantyl)-3-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(2-adamantyl)-3-(2-oxo-1-pyridinyl)propanamide
PubChem CID78863432
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-(2-adamantyl)-3-(2-oxo-1-pyridinyl)propanamide
SMILESO=C(CCn1ccccc1=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H24N2O2/c21-16(4-6-20-5-2-1-3-17(20)22)19-18-14-8-12-7-13(10-14)11-15(18)9-12/h1-3,5,12-15,18H,4,6-11H2,(H,19,21)
InChIKeyFEZZCFMIVHNCTC-UHFFFAOYSA-N
XLogP2.18
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-3-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-(2-adamantyl)-3-(2-oxo-1-pyridinyl)propanamide (CID 78863432) is N-(2-adamantyl)-3-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-(2-adamantyl)-3-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-(2-adamantyl)-3-(2-oxo-1-pyridinyl)propanamide is O=C(CCn1ccccc1=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-3-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is FEZZCFMIVHNCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-16(4-6-20-5-2-1-3-17(20)22)19-18-14-8-12-7-13(10-14)11-15(18)9-12/h1-3,5,12-15,18H,4,6-11H2,(H,19,21).
What are the key properties of N-(2-adamantyl)-3-(2-oxo-1-pyridinyl)propanamide?
N-(2-adamantyl)-3-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 300.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-3-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 78863432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).