N-[(E)-1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide

C18H23N3O — CID 5334906

IUPACN-[(E)-1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide
SMILESC/C(=N\NC(=O)c1ccccn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H23N3O/c1-12(20-21-17(22)16-4-2-3-5-19-16)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H,21,22)/b20-12+
InChIKeyXNAIVAYHKQNNEP-UDWIEESQSA-N
MW297.40 g/mol
LogP3.40
Rot. Bonds3

About N-[(E)-1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide

N-[(E)-1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide (PubChem CID 5334906) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(E)-1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide
PubChem CID5334906
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[(E)-1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide
SMILESC/C(=N\NC(=O)c1ccccn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H23N3O/c1-12(20-21-17(22)16-4-2-3-5-19-16)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H,21,22)/b20-12+
InChIKeyXNAIVAYHKQNNEP-UDWIEESQSA-N
XLogP3.40
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide (CID 5334906) is N-[(E)-1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide is C/C(=N\NC(=O)c1ccccn1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(E)-1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide?
The InChIKey is XNAIVAYHKQNNEP-UDWIEESQSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12(20-21-17(22)16-4-2-3-5-19-16)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H,21,22)/b20-12+.
What are the key properties of N-[(E)-1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide?
N-[(E)-1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 5334906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).