N-(2,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide

C21H21FN4O3 — CID 109284563

IUPACN-(2,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(NCCc3ccc(F)cc3)cn2)c(OC)c1
InChIInChI=1S/C21H21FN4O3/c1-28-16-7-8-17(19(11-16)29-2)26-21(27)18-12-25-20(13-24-18)23-10-9-14-3-5-15(22)6-4-14/h3-8,11-13H,9-10H2,1-2H3,(H,23,25)(H,26,27)
InChIKeyBINWTOMUIPSGKA-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.54
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide

N-(2,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide (PubChem CID 109284563) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
PubChem CID109284563
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC NameN-(2,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(NCCc3ccc(F)cc3)cn2)c(OC)c1
InChIInChI=1S/C21H21FN4O3/c1-28-16-7-8-17(19(11-16)29-2)26-21(27)18-12-25-20(13-24-18)23-10-9-14-3-5-15(22)6-4-14/h3-8,11-13H,9-10H2,1-2H3,(H,23,25)(H,26,27)
InChIKeyBINWTOMUIPSGKA-UHFFFAOYSA-N
XLogP3.54
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]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

Related Compounds

N-(2,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308438
N-(2,4-difluorophenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284577
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109275614
N-(2,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284527
5-[2-(4-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109284560
N-(2,5-dimethoxyphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109158661
N-(2,5-dimethoxyphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284387
N-(4-fluorophenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284544
N-(3,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284529
N-(2,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283445
N-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109293921
N-(2,3-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284532

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide (CID 109284563) is N-(2,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide is COc1ccc(NC(=O)c2cnc(NCCc3ccc(F)cc3)cn2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide?
The InChIKey is BINWTOMUIPSGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-28-16-7-8-17(19(11-16)29-2)26-21(27)18-12-25-20(13-24-18)23-10-9-14-3-5-15(22)6-4-14/h3-8,11-13H,9-10H2,1-2H3,(H,23,25)(H,26,27).
What are the key properties of N-(2,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide?
N-(2,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109284563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).