N-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-2-pyridin-4-ylacetamide

C19H26N2O2 — CID 125167640

IUPACN-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-2-pyridin-4-ylacetamide
SMILESO=C(Cc1ccncc1)NC[C@@H](O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H26N2O2/c22-17(12-21-18(23)8-13-1-3-20-4-2-13)19-9-14-5-15(10-19)7-16(6-14)11-19/h1-4,14-17,22H,5-12H2,(H,21,23)/t14?,15?,16?,17-,19?/m1/s1
InChIKeyPPEFTIXBUJJNDC-YMVOSSCXSA-N
MW314.43 g/mol
LogP2.32
Rot. Bonds5

About N-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-2-pyridin-4-ylacetamide

N-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-2-pyridin-4-ylacetamide (PubChem CID 125167640) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-2-pyridin-4-ylacetamide
PubChem CID125167640
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-2-pyridin-4-ylacetamide
SMILESO=C(Cc1ccncc1)NC[C@@H](O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H26N2O2/c22-17(12-21-18(23)8-13-1-3-20-4-2-13)19-9-14-5-15(10-19)7-16(6-14)11-19/h1-4,14-17,22H,5-12H2,(H,21,23)/t14?,15?,16?,17-,19?/m1/s1
InChIKeyPPEFTIXBUJJNDC-YMVOSSCXSA-N
XLogP2.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-2-pyridin-4-ylacetamide 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

N-(2-methylpropyl)-2-pyridin-4-ylacetamide
CID 78975326
N-(2,3-dimethylbutyl)-2-pyridin-4-ylacetamide
CID 122136270
methyl 2-hydroxy-3-[(2-pyridin-4-ylacetyl)amino]propanoate
CID 103960996
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] pyridine-4-carboxylate
CID 7783764
N'-(1-adamantyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108518278
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 7323930
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 7323929
N-[(2S)-2-amino-3-methylpentyl]-2-pyridin-4-ylacetamide
CID 67292667
2-(1-adamantyl)-N-pyridin-4-ylacetamide
CID 2971527
N-(3-aminocyclobutyl)-2-pyridin-4-ylacetamide
CID 43594929
[2-(1-adamantylmethylamino)-2-oxoethyl] pyridine-4-carboxylate
CID 7478107
2-(1-adamantyl)-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]acetamide
CID 9226367

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-2-pyridin-4-ylacetamide?
The IUPAC name of N-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-2-pyridin-4-ylacetamide (CID 125167640) is N-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-2-pyridin-4-ylacetamide is O=C(Cc1ccncc1)NC[C@@H](O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-2-pyridin-4-ylacetamide?
The InChIKey is PPEFTIXBUJJNDC-YMVOSSCXSA-N. The full InChI is InChI=1S/C19H26N2O2/c22-17(12-21-18(23)8-13-1-3-20-4-2-13)19-9-14-5-15(10-19)7-16(6-14)11-19/h1-4,14-17,22H,5-12H2,(H,21,23)/t14?,15?,16?,17-,19?/m1/s1.
What are the key properties of N-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-2-pyridin-4-ylacetamide?
N-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-2-pyridin-4-ylacetamide has a molecular weight of 314.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 125167640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).