2-[[(3S)-2-oxoazepan-3-yl]amino]-N-pyrazin-2-ylacetamide

C12H17N5O2 — CID 50949511

IUPAC2-[[(3S)-2-oxoazepan-3-yl]amino]-N-pyrazin-2-ylacetamide
SMILESO=C(CN[C@H]1CCCCNC1=O)Nc1cnccn1
InChIInChI=1S/C12H17N5O2/c18-11(17-10-7-13-5-6-14-10)8-16-9-3-1-2-4-15-12(9)19/h5-7,9,16H,1-4,8H2,(H,15,19)(H,14,17,18)/t9-/m0/s1
InChIKeyUFKCCAWGLHYMAR-VIFPVBQESA-N
MW263.30 g/mol
LogP-0.33
Rot. Bonds4

About 2-[[(3S)-2-oxoazepan-3-yl]amino]-N-pyrazin-2-ylacetamide

2-[[(3S)-2-oxoazepan-3-yl]amino]-N-pyrazin-2-ylacetamide (PubChem CID 50949511) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[[(3S)-2-oxoazepan-3-yl]amino]-N-pyrazin-2-ylacetamide.

Molecular Properties

Compound Name2-[[(3S)-2-oxoazepan-3-yl]amino]-N-pyrazin-2-ylacetamide
PubChem CID50949511
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-[[(3S)-2-oxoazepan-3-yl]amino]-N-pyrazin-2-ylacetamide
SMILESO=C(CN[C@H]1CCCCNC1=O)Nc1cnccn1
InChIInChI=1S/C12H17N5O2/c18-11(17-10-7-13-5-6-14-10)8-16-9-3-1-2-4-15-12(9)19/h5-7,9,16H,1-4,8H2,(H,15,19)(H,14,17,18)/t9-/m0/s1
InChIKeyUFKCCAWGLHYMAR-VIFPVBQESA-N
XLogP-0.33
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[(3S)-2-oxoazepan-3-yl]amino]-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

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-2-oxoazepan-3-yl]amino]-N-pyrazin-2-ylacetamide?
The IUPAC name of 2-[[(3S)-2-oxoazepan-3-yl]amino]-N-pyrazin-2-ylacetamide (CID 50949511) is 2-[[(3S)-2-oxoazepan-3-yl]amino]-N-pyrazin-2-ylacetamide.
What is the SMILES notation for 2-[[(3S)-2-oxoazepan-3-yl]amino]-N-pyrazin-2-ylacetamide?
The canonical SMILES for 2-[[(3S)-2-oxoazepan-3-yl]amino]-N-pyrazin-2-ylacetamide is O=C(CN[C@H]1CCCCNC1=O)Nc1cnccn1.
What is the InChIKey of 2-[[(3S)-2-oxoazepan-3-yl]amino]-N-pyrazin-2-ylacetamide?
The InChIKey is UFKCCAWGLHYMAR-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N5O2/c18-11(17-10-7-13-5-6-14-10)8-16-9-3-1-2-4-15-12(9)19/h5-7,9,16H,1-4,8H2,(H,15,19)(H,14,17,18)/t9-/m0/s1.
What are the key properties of 2-[[(3S)-2-oxoazepan-3-yl]amino]-N-pyrazin-2-ylacetamide?
2-[[(3S)-2-oxoazepan-3-yl]amino]-N-pyrazin-2-ylacetamide has a molecular weight of 263.30 g/mol, XLogP of -0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-2-oxoazepan-3-yl]amino]-N-pyrazin-2-ylacetamide is sourced from PubChem (CID 50949511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).