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

C18H23N3O — CID 2852529

IUPACN-[1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide
SMILESCC(=NNC(=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)
InChIKeyXNAIVAYHKQNNEP-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.40
Rot. Bonds3

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

N-[1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide (PubChem CID 2852529) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide
PubChem CID2852529
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide
SMILESCC(=NNC(=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)
InChIKeyXNAIVAYHKQNNEP-UHFFFAOYSA-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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Related Compounds

N-[1-(1-adamantyl)ethylideneamino]thiophene-2-carboxamide
CID 3983394
N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]pyridine-2-carboxamide
CID 135460521
N-[[(1R,3S)-5-hydroxy-2-adamantylidene]amino]pyridine-2-carboxamide
CID 768050
N-[(E)-1-(1-adamantyl)ethylideneamino]-2-hydroxy-3-methoxybenzamide
CID 95041471
N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-methoxybenzamide
CID 6148191
1-[(E)-[1-adamantyl(pyridin-2-yl)methylidene]amino]-3-aminothiourea
CID 5494283
N-[[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]pyridine-2-carboxamide
CID 3108542
N-[1-(1-adamantyl)ethylideneamino]-2-naphthalen-1-ylacetamide
CID 4667670
N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524147
N-(1-methylcyclobutyl)pyridine-2-carboxamide
CID 175814951
N-[4-oxo-4-[2-(pyridine-2-carbonyl)hydrazinyl]butyl]adamantane-1-carboxamide
CID 9401958
N-[1-(1-adamantyl)ethylideneamino]-3-chloro-6-methyl-1-benzothiophene-2-carboxamide
CID 4181697

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide (CID 2852529) is N-[1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide is CC(=NNC(=O)c1ccccn1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide?
The InChIKey is XNAIVAYHKQNNEP-UHFFFAOYSA-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).
What are the key properties of N-[1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide?
N-[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-[1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 2852529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).