3-amino-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide

C11H17N5O — CID 47293314

IUPAC3-amino-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide
SMILESCN1CCC(NC(=O)c2nccnc2N)CC1
InChIInChI=1S/C11H17N5O/c1-16-6-2-8(3-7-16)15-11(17)9-10(12)14-5-4-13-9/h4-5,8H,2-3,6-7H2,1H3,(H2,12,14)(H,15,17)
InChIKeyPVVHMKWERDMFLB-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.12
Rot. Bonds2

About 3-amino-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide

3-amino-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide (PubChem CID 47293314) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-amino-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide
PubChem CID47293314
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name3-amino-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide
SMILESCN1CCC(NC(=O)c2nccnc2N)CC1
InChIInChI=1S/C11H17N5O/c1-16-6-2-8(3-7-16)15-11(17)9-10(12)14-5-4-13-9/h4-5,8H,2-3,6-7H2,1H3,(H2,12,14)(H,15,17)
InChIKeyPVVHMKWERDMFLB-UHFFFAOYSA-N
XLogP-0.12
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-(1-methylpiperidin-4-yl)pyrazine-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 3-amino-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide (CID 47293314) is 3-amino-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide is CN1CCC(NC(=O)c2nccnc2N)CC1.
What is the InChIKey of 3-amino-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide?
The InChIKey is PVVHMKWERDMFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-16-6-2-8(3-7-16)15-11(17)9-10(12)14-5-4-13-9/h4-5,8H,2-3,6-7H2,1H3,(H2,12,14)(H,15,17).
What are the key properties of 3-amino-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide?
3-amino-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide has a molecular weight of 235.29 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 47293314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).