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

C21H21FN4O3 — CID 109284387

IUPACN-(2,5-dimethoxyphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cnc(NCCc3ccccc3F)cn2)c1
InChIInChI=1S/C21H21FN4O3/c1-28-15-7-8-19(29-2)17(11-15)26-21(27)18-12-25-20(13-24-18)23-10-9-14-5-3-4-6-16(14)22/h3-8,11-13H,9-10H2,1-2H3,(H,23,25)(H,26,27)
InChIKeyXZUAPAJBASUREE-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.54
Rot. Bonds8

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

N-(2,5-dimethoxyphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide (PubChem CID 109284387) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide
PubChem CID109284387
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC NameN-(2,5-dimethoxyphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cnc(NCCc3ccccc3F)cn2)c1
InChIInChI=1S/C21H21FN4O3/c1-28-15-7-8-19(29-2)17(11-15)26-21(27)18-12-25-20(13-24-18)23-10-9-14-5-3-4-6-16(14)22/h3-8,11-13H,9-10H2,1-2H3,(H,23,25)(H,26,27)
InChIKeyXZUAPAJBASUREE-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

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Related Compounds

N-(2,5-dimethoxyphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109121963
N-[2-(2-fluorophenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282286
N-(2,5-dimethoxyphenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107374016
N-(2,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284563
5-anilino-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109289572
N-[2-(2-fluorophenyl)ethyl]-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109284290
N-(2,5-dimethoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190329
N-(3-fluorophenyl)-5-[2-(2-methoxyphenyl)ethylamino]pyrazine-2-carboxamide
CID 109284703
5-(2,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109293895
N-(5-chloro-2-methoxyphenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214065
5-[(2-fluorophenyl)methylamino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 109281495
N-(4-acetylphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284391

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide (CID 109284387) is N-(2,5-dimethoxyphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide is COc1ccc(OC)c(NC(=O)c2cnc(NCCc3ccccc3F)cn2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide?
The InChIKey is XZUAPAJBASUREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-28-15-7-8-19(29-2)17(11-15)26-21(27)18-12-25-20(13-24-18)23-10-9-14-5-3-4-6-16(14)22/h3-8,11-13H,9-10H2,1-2H3,(H,23,25)(H,26,27).
What are the key properties of N-(2,5-dimethoxyphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide?
N-(2,5-dimethoxyphenyl)-5-[2-(2-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-(2,5-dimethoxyphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109284387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).