2-(4-hydroxyazepan-1-yl)-N-pyrazin-2-ylacetamide

C12H18N4O2 — CID 131921726

IUPAC2-(4-hydroxyazepan-1-yl)-N-pyrazin-2-ylacetamide
SMILESO=C(CN1CCCC(O)CC1)Nc1cnccn1
InChIInChI=1S/C12H18N4O2/c17-10-2-1-6-16(7-3-10)9-12(18)15-11-8-13-4-5-14-11/h4-5,8,10,17H,1-3,6-7,9H2,(H,14,15,18)
InChIKeyXRKNMKSYGGCINZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.26
Rot. Bonds3

About 2-(4-hydroxyazepan-1-yl)-N-pyrazin-2-ylacetamide

2-(4-hydroxyazepan-1-yl)-N-pyrazin-2-ylacetamide (PubChem CID 131921726) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(4-hydroxyazepan-1-yl)-N-pyrazin-2-ylacetamide.

Molecular Properties

Compound Name2-(4-hydroxyazepan-1-yl)-N-pyrazin-2-ylacetamide
PubChem CID131921726
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-(4-hydroxyazepan-1-yl)-N-pyrazin-2-ylacetamide
SMILESO=C(CN1CCCC(O)CC1)Nc1cnccn1
InChIInChI=1S/C12H18N4O2/c17-10-2-1-6-16(7-3-10)9-12(18)15-11-8-13-4-5-14-11/h4-5,8,10,17H,1-3,6-7,9H2,(H,14,15,18)
InChIKeyXRKNMKSYGGCINZ-UHFFFAOYSA-N
XLogP0.26
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-hydroxyazepan-1-yl)-N-pyrazin-2-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

2-(4-cyano-4-methylpiperidin-1-yl)-N-pyrazin-2-ylacetamide
CID 131900844
N-(5-chloro-2-pyridinyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 94184594
2-piperidin-1-yl-N-pyridin-2-ylacetamide
CID 12780526
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
N-pyrazin-2-ylpyrrolidine-1-carboxamide
CID 110492109
[7-[2-oxo-2-(pyrazin-2-ylamino)ethyl]-7-azaspiro[3.5]nonan-3-yl] 1-phenylcyclohexane-1-carboxylate
CID 163922966
N-(5-chloro-2-pyridinyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111332524
N-pyrazin-2-ylazepane-1-carboxamide
CID 110492146
2-(cyclopropylmethoxy)-N-pyrazin-2-ylacetamide
CID 86794489
2-(2-hydroxy-1-methylpiperidin-1-ium-1-yl)-N-pyrazin-2-ylacetamide
CID 87800788
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 16613410
N-(1,5-dimethylpyrazol-3-yl)-2-(4-pyrazin-2-yloxypiperidin-1-yl)acetamide
CID 46981203

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyazepan-1-yl)-N-pyrazin-2-ylacetamide?
The IUPAC name of 2-(4-hydroxyazepan-1-yl)-N-pyrazin-2-ylacetamide (CID 131921726) is 2-(4-hydroxyazepan-1-yl)-N-pyrazin-2-ylacetamide.
What is the SMILES notation for 2-(4-hydroxyazepan-1-yl)-N-pyrazin-2-ylacetamide?
The canonical SMILES for 2-(4-hydroxyazepan-1-yl)-N-pyrazin-2-ylacetamide is O=C(CN1CCCC(O)CC1)Nc1cnccn1.
What is the InChIKey of 2-(4-hydroxyazepan-1-yl)-N-pyrazin-2-ylacetamide?
The InChIKey is XRKNMKSYGGCINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c17-10-2-1-6-16(7-3-10)9-12(18)15-11-8-13-4-5-14-11/h4-5,8,10,17H,1-3,6-7,9H2,(H,14,15,18).
What are the key properties of 2-(4-hydroxyazepan-1-yl)-N-pyrazin-2-ylacetamide?
2-(4-hydroxyazepan-1-yl)-N-pyrazin-2-ylacetamide has a molecular weight of 250.30 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyazepan-1-yl)-N-pyrazin-2-ylacetamide is sourced from PubChem (CID 131921726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).