N-(3-morpholin-4-ylpropyl)pyrazine-2-carboxamide

C12H18N4O2 — CID 5005675

IUPACN-(3-morpholin-4-ylpropyl)pyrazine-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cnccn1
InChIInChI=1S/C12H18N4O2/c17-12(11-10-13-3-4-14-11)15-2-1-5-16-6-8-18-9-7-16/h3-4,10H,1-2,5-9H2,(H,15,17)
InChIKeyYQVUDAGNTORPQF-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.07
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)pyrazine-2-carboxamide

N-(3-morpholin-4-ylpropyl)pyrazine-2-carboxamide (PubChem CID 5005675) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)pyrazine-2-carboxamide
PubChem CID5005675
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-(3-morpholin-4-ylpropyl)pyrazine-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cnccn1
InChIInChI=1S/C12H18N4O2/c17-12(11-10-13-3-4-14-11)15-2-1-5-16-6-8-18-9-7-16/h3-4,10H,1-2,5-9H2,(H,15,17)
InChIKeyYQVUDAGNTORPQF-UHFFFAOYSA-N
XLogP-0.07
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-morpholin-4-ylpropyl)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 N-(3-morpholin-4-ylpropyl)pyrazine-2-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)pyrazine-2-carboxamide (CID 5005675) is N-(3-morpholin-4-ylpropyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)pyrazine-2-carboxamide is O=C(NCCCN1CCOCC1)c1cnccn1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)pyrazine-2-carboxamide?
The InChIKey is YQVUDAGNTORPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c17-12(11-10-13-3-4-14-11)15-2-1-5-16-6-8-18-9-7-16/h3-4,10H,1-2,5-9H2,(H,15,17).
What are the key properties of N-(3-morpholin-4-ylpropyl)pyrazine-2-carboxamide?
N-(3-morpholin-4-ylpropyl)pyrazine-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 5005675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).