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

C21H21FN4O2 — CID 109282286

IUPACN-[2-(2-fluorophenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
SMILESCOc1ccccc1CNc1cnc(C(=O)NCCc2ccccc2F)cn1
InChIInChI=1S/C21H21FN4O2/c1-28-19-9-5-3-7-16(19)12-25-20-14-24-18(13-26-20)21(27)23-11-10-15-6-2-4-8-17(15)22/h2-9,13-14H,10-12H2,1H3,(H,23,27)(H,25,26)
InChIKeyYNUMAKGXNFMVNC-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.21
Rot. Bonds8

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

N-[2-(2-fluorophenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide (PubChem CID 109282286) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
PubChem CID109282286
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
SMILESCOc1ccccc1CNc1cnc(C(=O)NCCc2ccccc2F)cn1
InChIInChI=1S/C21H21FN4O2/c1-28-19-9-5-3-7-16(19)12-25-20-14-24-18(13-26-20)21(27)23-11-10-15-6-2-4-8-17(15)22/h2-9,13-14H,10-12H2,1H3,(H,23,27)(H,25,26)
InChIKeyYNUMAKGXNFMVNC-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

N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109281291
N-[2-(2-fluorophenyl)ethyl]-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109284290
5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109282298
N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281677
N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282289
N-[2-(3-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282308
5-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272757
N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282335
5-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109275858
5-[(2-methoxyphenyl)methylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271187
5-(2,6-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282275
5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282232

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide (CID 109282286) is N-[2-(2-fluorophenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide is COc1ccccc1CNc1cnc(C(=O)NCCc2ccccc2F)cn1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
The InChIKey is YNUMAKGXNFMVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-28-19-9-5-3-7-16(19)12-25-20-14-24-18(13-26-20)21(27)23-11-10-15-6-2-4-8-17(15)22/h2-9,13-14H,10-12H2,1H3,(H,23,27)(H,25,26).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]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 N-[2-(2-fluorophenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109282286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).