5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide

C20H18F2N4O2 — CID 109284777

IUPAC5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cnc(Nc3ccc(F)c(F)c3)cn2)c1
InChIInChI=1S/C20H18F2N4O2/c1-28-15-4-2-3-13(9-15)7-8-23-20(27)18-11-25-19(12-24-18)26-14-5-6-16(21)17(22)10-14/h2-6,9-12H,7-8H2,1H3,(H,23,27)(H,25,26)
InChIKeyMHMAVAMOAHPNRY-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.48
Rot. Bonds7

About 5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide

5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 109284777) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is 5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
PubChem CID109284777
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cnc(Nc3ccc(F)c(F)c3)cn2)c1
InChIInChI=1S/C20H18F2N4O2/c1-28-15-4-2-3-13(9-15)7-8-23-20(27)18-11-25-19(12-24-18)26-14-5-6-16(21)17(22)10-14/h2-6,9-12H,7-8H2,1H3,(H,23,27)(H,25,26)
InChIKeyMHMAVAMOAHPNRY-UHFFFAOYSA-N
XLogP3.48
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192661
5-(2,6-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284776
N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109284467
N-[2-(3-methoxyphenyl)ethyl]-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109284747
5-(2,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284770
5-(1,3-benzodioxol-5-ylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284768
5-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284773
5-(3,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284497
5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109281680
5-(2,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284737
5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109272575
5-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284888

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide (CID 109284777) is 5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide is COc1cccc(CCNC(=O)c2cnc(Nc3ccc(F)c(F)c3)cn2)c1.
What is the InChIKey of 5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is MHMAVAMOAHPNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-28-15-4-2-3-13(9-15)7-8-23-20(27)18-11-25-19(12-24-18)26-14-5-6-16(21)17(22)10-14/h2-6,9-12H,7-8H2,1H3,(H,23,27)(H,25,26).
What are the key properties of 5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109284777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).