2-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1-adamantyl]-N-pyridin-2-ylacetamide

C24H28N4O2 — CID 23934530

IUPAC2-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1-adamantyl]-N-pyridin-2-ylacetamide
SMILESO=C(CC12CC3CC(C1)CC(CC(=O)Nc1ccccn1)(C3)C2)Nc1ccccn1
InChIInChI=1S/C24H28N4O2/c29-21(27-19-5-1-3-7-25-19)14-23-10-17-9-18(11-23)13-24(12-17,16-23)15-22(30)28-20-6-2-4-8-26-20/h1-8,17-18H,9-16H2,(H,25,27,29)(H,26,28,30)
InChIKeyGWWADCWGASLSHL-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.42
Rot. Bonds6

About 2-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1-adamantyl]-N-pyridin-2-ylacetamide

2-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1-adamantyl]-N-pyridin-2-ylacetamide (PubChem CID 23934530) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1-adamantyl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1-adamantyl]-N-pyridin-2-ylacetamide
PubChem CID23934530
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name2-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1-adamantyl]-N-pyridin-2-ylacetamide
SMILESO=C(CC12CC3CC(C1)CC(CC(=O)Nc1ccccn1)(C3)C2)Nc1ccccn1
InChIInChI=1S/C24H28N4O2/c29-21(27-19-5-1-3-7-25-19)14-23-10-17-9-18(11-23)13-24(12-17,16-23)15-22(30)28-20-6-2-4-8-26-20/h1-8,17-18H,9-16H2,(H,25,27,29)(H,26,28,30)
InChIKeyGWWADCWGASLSHL-UHFFFAOYSA-N
XLogP4.42
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1-adamantyl]-N-(1,3-thiazol-2-yl)acetamide
CID 3581376
2-(3-hydroxy-1-adamantyl)-N-phenylacetamide
CID 18104229
2-(1-adamantyl)-N-[4-(2-pyridin-2-ylethyl)phenyl]acetamide
CID 46786313
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
2-(1-adamantyl)-N-pyridin-4-ylacetamide
CID 2971527
2-[(5S,7S)-3-bromo-1-adamantyl]-N-(2-methoxyphenyl)acetamide
CID 98144134
trans-(1S,2R)-2-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide
CID 141282806
2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide
CID 139249629
2-(1-adamantyl)-N-(2-chlorophenyl)acetamide
CID 4563797
ethyl 2-[[2-(1-adamantyl)acetyl]amino]pyridine-4-carboxylate
CID 108755461
2-[(5R,7R)-3-bromo-1-adamantyl]-N-(1,3-thiazol-2-yl)acetamide
CID 98125965
2-(3-hydroxy-1-adamantyl)-N-[4-(triazol-2-yl)phenyl]acetamide
CID 51117266

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1-adamantyl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1-adamantyl]-N-pyridin-2-ylacetamide (CID 23934530) is 2-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1-adamantyl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1-adamantyl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1-adamantyl]-N-pyridin-2-ylacetamide is O=C(CC12CC3CC(C1)CC(CC(=O)Nc1ccccn1)(C3)C2)Nc1ccccn1.
What is the InChIKey of 2-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1-adamantyl]-N-pyridin-2-ylacetamide?
The InChIKey is GWWADCWGASLSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c29-21(27-19-5-1-3-7-25-19)14-23-10-17-9-18(11-23)13-24(12-17,16-23)15-22(30)28-20-6-2-4-8-26-20/h1-8,17-18H,9-16H2,(H,25,27,29)(H,26,28,30).
What are the key properties of 2-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1-adamantyl]-N-pyridin-2-ylacetamide?
2-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1-adamantyl]-N-pyridin-2-ylacetamide has a molecular weight of 404.51 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1-adamantyl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 23934530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).