N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide

C16H18N4O4 — CID 6498565

IUPACN-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide
SMILESCOc1ccc(C(=O)NCCNC(=O)c2cnccn2)cc1OC
InChIInChI=1S/C16H18N4O4/c1-23-13-4-3-11(9-14(13)24-2)15(21)19-7-8-20-16(22)12-10-17-5-6-18-12/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyCMGDVRFJDMBLJY-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.65
Rot. Bonds7

About N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide

N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide (PubChem CID 6498565) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide
PubChem CID6498565
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC NameN-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide
SMILESCOc1ccc(C(=O)NCCNC(=O)c2cnccn2)cc1OC
InChIInChI=1S/C16H18N4O4/c1-23-13-4-3-11(9-14(13)24-2)15(21)19-7-8-20-16(22)12-10-17-5-6-18-12/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyCMGDVRFJDMBLJY-UHFFFAOYSA-N
XLogP0.65
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]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-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide (CID 6498565) is N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide is COc1ccc(C(=O)NCCNC(=O)c2cnccn2)cc1OC.
What is the InChIKey of N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide?
The InChIKey is CMGDVRFJDMBLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-23-13-4-3-11(9-14(13)24-2)15(21)19-7-8-20-16(22)12-10-17-5-6-18-12/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide?
N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 6498565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).