N'-(1-adamantyl)-N-(pyridin-4-ylmethyl)oxamide

C18H23N3O2 — CID 108518278

IUPACN'-(1-adamantyl)-N-(pyridin-4-ylmethyl)oxamide
SMILESO=C(NCc1ccncc1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H23N3O2/c22-16(20-11-12-1-3-19-4-2-12)17(23)21-18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,13-15H,5-11H2,(H,20,22)(H,21,23)
InChIKeyAKGFHVMJOUWCGQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.78
Rot. Bonds3

About N'-(1-adamantyl)-N-(pyridin-4-ylmethyl)oxamide

N'-(1-adamantyl)-N-(pyridin-4-ylmethyl)oxamide (PubChem CID 108518278) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N'-(1-adamantyl)-N-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(1-adamantyl)-N-(pyridin-4-ylmethyl)oxamide
PubChem CID108518278
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN'-(1-adamantyl)-N-(pyridin-4-ylmethyl)oxamide
SMILESO=C(NCc1ccncc1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H23N3O2/c22-16(20-11-12-1-3-19-4-2-12)17(23)21-18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,13-15H,5-11H2,(H,20,22)(H,21,23)
InChIKeyAKGFHVMJOUWCGQ-UHFFFAOYSA-N
XLogP1.78
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2R)-2-(pyridin-4-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 676939
(2S)-3-methylidene-1-N,2-N-bis(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 21177980
7-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 166802434
2-amino-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 82237334
3-(1-adamantylcarbamoylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 78839020
N'-(1-adamantyl)-N-[(4-methoxyphenyl)methyl]butanediamide
CID 4028517
N-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-2-pyridin-4-ylacetamide
CID 125167640
N-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)oxamide
CID 5077077
N'-(1,1-dioxothiolan-3-yl)-N-(pyridin-4-ylmethyl)oxamide
CID 108518237
1-(1-adamantyl)-3-[(5-thiophen-3-yl-3-pyridinyl)methyl]urea
CID 90628030
(7S)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide
CID 71587865
trans-(1S,3S)-2,2-dimethyl-3-(pyridin-4-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 52902154

Frequently Asked Questions

What is the IUPAC name of N'-(1-adamantyl)-N-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N'-(1-adamantyl)-N-(pyridin-4-ylmethyl)oxamide (CID 108518278) is N'-(1-adamantyl)-N-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N'-(1-adamantyl)-N-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N'-(1-adamantyl)-N-(pyridin-4-ylmethyl)oxamide is O=C(NCc1ccncc1)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-(1-adamantyl)-N-(pyridin-4-ylmethyl)oxamide?
The InChIKey is AKGFHVMJOUWCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-16(20-11-12-1-3-19-4-2-12)17(23)21-18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,13-15H,5-11H2,(H,20,22)(H,21,23).
What are the key properties of N'-(1-adamantyl)-N-(pyridin-4-ylmethyl)oxamide?
N'-(1-adamantyl)-N-(pyridin-4-ylmethyl)oxamide has a molecular weight of 313.40 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-adamantyl)-N-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 108518278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).