methyl 1-[2-(1-adamantylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate

C19H24N2O4 — CID 26068946

IUPACmethyl 1-[2-(1-adamantylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(CC(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H24N2O4/c1-25-18(24)15-2-3-17(23)21(10-15)11-16(22)20-19-7-12-4-13(8-19)6-14(5-12)9-19/h2-3,10,12-14H,4-9,11H2,1H3,(H,20,22)
InChIKeyUWELMUTYSGXVMS-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.72
Rot. Bonds4

About methyl 1-[2-(1-adamantylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate

methyl 1-[2-(1-adamantylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate (PubChem CID 26068946) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is methyl 1-[2-(1-adamantylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(1-adamantylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
PubChem CID26068946
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Namemethyl 1-[2-(1-adamantylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(CC(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H24N2O4/c1-25-18(24)15-2-3-17(23)21(10-15)11-16(22)20-19-7-12-4-13(8-19)6-14(5-12)9-19/h2-3,10,12-14H,4-9,11H2,1H3,(H,20,22)
InChIKeyUWELMUTYSGXVMS-UHFFFAOYSA-N
XLogP1.72
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-[2-(1-adamantylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 24609506
methyl 1-[2-(butan-2-ylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 43041430
methyl 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 24609499
N-(1-adamantyl)-2-(3-amino-2-oxo-1-pyridinyl)acetamide
CID 167291364
N-(1-adamantyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108795070
methyl 4-[2-(1-adamantylamino)ethyl]benzoate
CID 155665355
[2-(1-adamantylamino)-2-oxoethyl] 4-aminobenzoate
CID 4648812
N-(1-adamantyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930212
N-(1-adamantyl)-2-[[amino-(4-methoxyphenyl)methylidene]amino]oxyacetamide
CID 75136185
1-[2-(1-adamantylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502485
[2-(1-adamantylamino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 16521264
N-(1-adamantyl)-2-(4-benzoylpiperazin-1-yl)acetamide
CID 9223452

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(1-adamantylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-[2-(1-adamantylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate (CID 26068946) is methyl 1-[2-(1-adamantylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(1-adamantylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(1-adamantylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate is COC(=O)c1ccc(=O)n(CC(=O)NC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of methyl 1-[2-(1-adamantylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate?
The InChIKey is UWELMUTYSGXVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-25-18(24)15-2-3-17(23)21(10-15)11-16(22)20-19-7-12-4-13(8-19)6-14(5-12)9-19/h2-3,10,12-14H,4-9,11H2,1H3,(H,20,22).
What are the key properties of methyl 1-[2-(1-adamantylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate?
methyl 1-[2-(1-adamantylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(1-adamantylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 26068946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).