2-(1-adamantyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]acetamide

C21H25N3O2 — CID 121198813

IUPAC2-(1-adamantyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCc1nccnc1-c1ccco1
InChIInChI=1S/C21H25N3O2/c25-19(12-21-9-14-6-15(10-21)8-16(7-14)11-21)24-13-17-20(23-4-3-22-17)18-2-1-5-26-18/h1-5,14-16H,6-13H2,(H,24,25)
InChIKeyYECBSHPEUKYZPG-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.96
Rot. Bonds5

About 2-(1-adamantyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]acetamide

2-(1-adamantyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]acetamide (PubChem CID 121198813) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]acetamide
PubChem CID121198813
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-(1-adamantyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCc1nccnc1-c1ccco1
InChIInChI=1S/C21H25N3O2/c25-19(12-21-9-14-6-15(10-21)8-16(7-14)11-21)24-13-17-20(23-4-3-22-17)18-2-1-5-26-18/h1-5,14-16H,6-13H2,(H,24,25)
InChIKeyYECBSHPEUKYZPG-UHFFFAOYSA-N
XLogP3.96
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-adamantyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]acetamide 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

2-(1-adamantyl)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]acetamide
CID 121197067
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-pyrrol-1-ylacetamide
CID 121198831
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]pentanamide
CID 121198710
1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-propan-2-ylurea
CID 121199008
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]oxane-4-carboxamide
CID 121198919
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 121198894
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-phenylbutanamide
CID 121198828
3-(4-bromophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]propanamide
CID 121198786
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 121023123
1-(2,6-difluorophenyl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea
CID 121199004
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]naphthalene-1-carboxamide
CID 121198866
1-(1,1-dioxothiolan-3-yl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea
CID 121198954

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]acetamide (CID 121198813) is 2-(1-adamantyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCc1nccnc1-c1ccco1.
What is the InChIKey of 2-(1-adamantyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]acetamide?
The InChIKey is YECBSHPEUKYZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-19(12-21-9-14-6-15(10-21)8-16(7-14)11-21)24-13-17-20(23-4-3-22-17)18-2-1-5-26-18/h1-5,14-16H,6-13H2,(H,24,25).
What are the key properties of 2-(1-adamantyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]acetamide?
2-(1-adamantyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 121198813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).