N-(1-adamantyl)-2-(3-amino-2-oxo-1-pyridinyl)acetamide

C17H23N3O2 — CID 167291364

IUPACN-(1-adamantyl)-2-(3-amino-2-oxo-1-pyridinyl)acetamide
SMILESNc1cccn(CC(=O)NC23CC4CC(CC(C4)C2)C3)c1=O
InChIInChI=1S/C17H23N3O2/c18-14-2-1-3-20(16(14)22)10-15(21)19-17-7-11-4-12(8-17)6-13(5-11)9-17/h1-3,11-13H,4-10,18H2,(H,19,21)
InChIKeyBDGFZIXWVAOWLQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.52
Rot. Bonds3

About N-(1-adamantyl)-2-(3-amino-2-oxo-1-pyridinyl)acetamide

N-(1-adamantyl)-2-(3-amino-2-oxo-1-pyridinyl)acetamide (PubChem CID 167291364) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(3-amino-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(3-amino-2-oxo-1-pyridinyl)acetamide
PubChem CID167291364
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(1-adamantyl)-2-(3-amino-2-oxo-1-pyridinyl)acetamide
SMILESNc1cccn(CC(=O)NC23CC4CC(CC(C4)C2)C3)c1=O
InChIInChI=1S/C17H23N3O2/c18-14-2-1-3-20(16(14)22)10-15(21)19-17-7-11-4-12(8-17)6-13(5-11)9-17/h1-3,11-13H,4-10,18H2,(H,19,21)
InChIKeyBDGFZIXWVAOWLQ-UHFFFAOYSA-N
XLogP1.52
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(3-amino-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(3-amino-2-oxo-1-pyridinyl)acetamide (CID 167291364) is N-(1-adamantyl)-2-(3-amino-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(3-amino-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(3-amino-2-oxo-1-pyridinyl)acetamide is Nc1cccn(CC(=O)NC23CC4CC(CC(C4)C2)C3)c1=O.
What is the InChIKey of N-(1-adamantyl)-2-(3-amino-2-oxo-1-pyridinyl)acetamide?
The InChIKey is BDGFZIXWVAOWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c18-14-2-1-3-20(16(14)22)10-15(21)19-17-7-11-4-12(8-17)6-13(5-11)9-17/h1-3,11-13H,4-10,18H2,(H,19,21).
What are the key properties of N-(1-adamantyl)-2-(3-amino-2-oxo-1-pyridinyl)acetamide?
N-(1-adamantyl)-2-(3-amino-2-oxo-1-pyridinyl)acetamide has a molecular weight of 301.39 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(3-amino-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 167291364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).