N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyrazine-2-carboxamide

C21H21FN4O3 — CID 109281571

IUPACN-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyrazine-2-carboxamide
SMILESCOc1ccc(OCCNc2cnc(C(=O)NCc3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C21H21FN4O3/c1-28-17-6-8-18(9-7-17)29-11-10-23-20-14-24-19(13-25-20)21(27)26-12-15-2-4-16(22)5-3-15/h2-9,13-14H,10-12H2,1H3,(H,23,25)(H,26,27)
InChIKeyYFVRYJZSSODSMK-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.05
Rot. Bonds9

About N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyrazine-2-carboxamide

N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyrazine-2-carboxamide (PubChem CID 109281571) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyrazine-2-carboxamide
PubChem CID109281571
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC NameN-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyrazine-2-carboxamide
SMILESCOc1ccc(OCCNc2cnc(C(=O)NCc3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C21H21FN4O3/c1-28-17-6-8-18(9-7-17)29-11-10-23-20-14-24-19(13-25-20)21(27)26-12-15-2-4-16(22)5-3-15/h2-9,13-14H,10-12H2,1H3,(H,23,25)(H,26,27)
InChIKeyYFVRYJZSSODSMK-UHFFFAOYSA-N
XLogP3.05
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109281544
5-[2-(4-methoxyphenoxy)ethylamino]-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280259
5-[2-(4-methoxyphenoxy)ethylamino]-N-propylpyrazine-2-carboxamide
CID 109270830
5-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109277919
5-[2-(4-methoxyphenoxy)ethylamino]-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109279990
5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282451
5-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271228
5-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191483
5-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281563
N-[2-(4-methoxyphenoxy)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283924
N-[(4-methoxyphenyl)methyl]-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109282478
5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282450

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyrazine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyrazine-2-carboxamide (CID 109281571) is N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyrazine-2-carboxamide is COc1ccc(OCCNc2cnc(C(=O)NCc3ccc(F)cc3)cn2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyrazine-2-carboxamide?
The InChIKey is YFVRYJZSSODSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-28-17-6-8-18(9-7-17)29-11-10-23-20-14-24-19(13-25-20)21(27)26-12-15-2-4-16(22)5-3-15/h2-9,13-14H,10-12H2,1H3,(H,23,25)(H,26,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyrazine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyrazine-2-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109281571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).