N-(1-acetylpiperidin-4-yl)-6-imidazol-1-ylpyrazine-2-carboxamide

C15H18N6O2 — CID 170774171

IUPACN-(1-acetylpiperidin-4-yl)-6-imidazol-1-ylpyrazine-2-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2cncc(-n3ccnc3)n2)CC1
InChIInChI=1S/C15H18N6O2/c1-11(22)20-5-2-12(3-6-20)18-15(23)13-8-17-9-14(19-13)21-7-4-16-10-21/h4,7-10,12H,2-3,5-6H2,1H3,(H,18,23)
InChIKeyNEHBIOVDLWQPBL-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.40
Rot. Bonds3

About N-(1-acetylpiperidin-4-yl)-6-imidazol-1-ylpyrazine-2-carboxamide

N-(1-acetylpiperidin-4-yl)-6-imidazol-1-ylpyrazine-2-carboxamide (PubChem CID 170774171) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-6-imidazol-1-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-6-imidazol-1-ylpyrazine-2-carboxamide
PubChem CID170774171
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC NameN-(1-acetylpiperidin-4-yl)-6-imidazol-1-ylpyrazine-2-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2cncc(-n3ccnc3)n2)CC1
InChIInChI=1S/C15H18N6O2/c1-11(22)20-5-2-12(3-6-20)18-15(23)13-8-17-9-14(19-13)21-7-4-16-10-21/h4,7-10,12H,2-3,5-6H2,1H3,(H,18,23)
InChIKeyNEHBIOVDLWQPBL-UHFFFAOYSA-N
XLogP0.40
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-acetylpiperidin-4-yl)-6-imidazol-1-ylpyrazine-2-carboxamide 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 N-(1-acetylpiperidin-4-yl)-6-imidazol-1-ylpyrazine-2-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-6-imidazol-1-ylpyrazine-2-carboxamide (CID 170774171) is N-(1-acetylpiperidin-4-yl)-6-imidazol-1-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-6-imidazol-1-ylpyrazine-2-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-6-imidazol-1-ylpyrazine-2-carboxamide is CC(=O)N1CCC(NC(=O)c2cncc(-n3ccnc3)n2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-6-imidazol-1-ylpyrazine-2-carboxamide?
The InChIKey is NEHBIOVDLWQPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-11(22)20-5-2-12(3-6-20)18-15(23)13-8-17-9-14(19-13)21-7-4-16-10-21/h4,7-10,12H,2-3,5-6H2,1H3,(H,18,23).
What are the key properties of N-(1-acetylpiperidin-4-yl)-6-imidazol-1-ylpyrazine-2-carboxamide?
N-(1-acetylpiperidin-4-yl)-6-imidazol-1-ylpyrazine-2-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-6-imidazol-1-ylpyrazine-2-carboxamide is sourced from PubChem (CID 170774171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).