N-(5-carbamoyl-2-adamantyl)-6-oxo-1H-pyridine-2-carboxamide

C17H21N3O3 — CID 71089737

IUPACN-(5-carbamoyl-2-adamantyl)-6-oxo-1H-pyridine-2-carboxamide
SMILESNC(=O)C12CC3CC(C1)C(NC(=O)c1cccc(=O)[nH]1)C(C3)C2
InChIInChI=1S/C17H21N3O3/c18-16(23)17-6-9-4-10(7-17)14(11(5-9)8-17)20-15(22)12-2-1-3-13(21)19-12/h1-3,9-11,14H,4-8H2,(H2,18,23)(H,19,21)(H,20,22)
InChIKeyJUSJLWYJUIDEAI-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.78
Rot. Bonds3

About N-(5-carbamoyl-2-adamantyl)-6-oxo-1H-pyridine-2-carboxamide

N-(5-carbamoyl-2-adamantyl)-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 71089737) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(5-carbamoyl-2-adamantyl)-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-adamantyl)-6-oxo-1H-pyridine-2-carboxamide
PubChem CID71089737
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-(5-carbamoyl-2-adamantyl)-6-oxo-1H-pyridine-2-carboxamide
SMILESNC(=O)C12CC3CC(C1)C(NC(=O)c1cccc(=O)[nH]1)C(C3)C2
InChIInChI=1S/C17H21N3O3/c18-16(23)17-6-9-4-10(7-17)14(11(5-9)8-17)20-15(22)12-2-1-3-13(21)19-12/h1-3,9-11,14H,4-8H2,(H2,18,23)(H,19,21)(H,20,22)
InChIKeyJUSJLWYJUIDEAI-UHFFFAOYSA-N
XLogP0.78
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-adamantyl)-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-adamantyl)-6-oxo-1H-pyridine-2-carboxamide (CID 71089737) is N-(5-carbamoyl-2-adamantyl)-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-adamantyl)-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-adamantyl)-6-oxo-1H-pyridine-2-carboxamide is NC(=O)C12CC3CC(C1)C(NC(=O)c1cccc(=O)[nH]1)C(C3)C2.
What is the InChIKey of N-(5-carbamoyl-2-adamantyl)-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is JUSJLWYJUIDEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c18-16(23)17-6-9-4-10(7-17)14(11(5-9)8-17)20-15(22)12-2-1-3-13(21)19-12/h1-3,9-11,14H,4-8H2,(H2,18,23)(H,19,21)(H,20,22).
What are the key properties of N-(5-carbamoyl-2-adamantyl)-6-oxo-1H-pyridine-2-carboxamide?
N-(5-carbamoyl-2-adamantyl)-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-adamantyl)-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 71089737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).