5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide

C21H21FN4O2 — CID 109281680

IUPAC5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cnc(NCc3ccc(F)cc3)cn2)c1
InChIInChI=1S/C21H21FN4O2/c1-28-18-4-2-3-15(11-18)9-10-23-21(27)19-13-26-20(14-24-19)25-12-16-5-7-17(22)8-6-16/h2-8,11,13-14H,9-10,12H2,1H3,(H,23,27)(H,25,26)
InChIKeyNMLVREVYLMBYTA-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.21
Rot. Bonds8

About 5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide

5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 109281680) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
PubChem CID109281680
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cnc(NCc3ccc(F)cc3)cn2)c1
InChIInChI=1S/C21H21FN4O2/c1-28-18-4-2-3-15(11-18)9-10-23-21(27)19-13-26-20(14-24-19)25-12-16-5-7-17(22)8-6-16/h2-8,11,13-14H,9-10,12H2,1H3,(H,23,27)(H,25,26)
InChIKeyNMLVREVYLMBYTA-UHFFFAOYSA-N
XLogP3.21
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109189720
N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282289
5-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109281675
N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109284467
5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109272575
2-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109305509
5-(2,6-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284776
5-(2,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284770
N-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109281544
5-[3-(dimethylamino)propylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109277930
5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284777
1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108867745

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide (CID 109281680) is 5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide is COc1cccc(CCNC(=O)c2cnc(NCc3ccc(F)cc3)cn2)c1.
What is the InChIKey of 5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is NMLVREVYLMBYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-28-18-4-2-3-15(11-18)9-10-23-21(27)19-13-26-20(14-24-19)25-12-16-5-7-17(22)8-6-16/h2-8,11,13-14H,9-10,12H2,1H3,(H,23,27)(H,25,26).
What are the key properties of 5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109281680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).