N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide

C17H20N4O5 — CID 6498566

IUPACN-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide
SMILESCOc1cc(C(=O)NCCNC(=O)c2cnccn2)cc(OC)c1OC
InChIInChI=1S/C17H20N4O5/c1-24-13-8-11(9-14(25-2)15(13)26-3)16(22)20-6-7-21-17(23)12-10-18-4-5-19-12/h4-5,8-10H,6-7H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyZGJQGZMBLAUMKB-UHFFFAOYSA-N
MW360.37 g/mol
LogP0.66
Rot. Bonds8

About N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide

N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide (PubChem CID 6498566) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide
PubChem CID6498566
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC NameN-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide
SMILESCOc1cc(C(=O)NCCNC(=O)c2cnccn2)cc(OC)c1OC
InChIInChI=1S/C17H20N4O5/c1-24-13-8-11(9-14(25-2)15(13)26-3)16(22)20-6-7-21-17(23)12-10-18-4-5-19-12/h4-5,8-10H,6-7H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyZGJQGZMBLAUMKB-UHFFFAOYSA-N
XLogP0.66
TPSA111.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide (CID 6498566) is N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide is COc1cc(C(=O)NCCNC(=O)c2cnccn2)cc(OC)c1OC.
What is the InChIKey of N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide?
The InChIKey is ZGJQGZMBLAUMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5/c1-24-13-8-11(9-14(25-2)15(13)26-3)16(22)20-6-7-21-17(23)12-10-18-4-5-19-12/h4-5,8-10H,6-7H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide?
N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 0.66, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 6498566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).