N-(2-ethoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide

C20H19FN4O2 — CID 109281748

IUPACN-(2-ethoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cnc(NCc2ccc(F)cc2)cn1
InChIInChI=1S/C20H19FN4O2/c1-2-27-18-6-4-3-5-16(18)25-20(26)17-12-24-19(13-22-17)23-11-14-7-9-15(21)10-8-14/h3-10,12-13H,2,11H2,1H3,(H,23,24)(H,25,26)
InChIKeyRNKJEKKWXMKJQI-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.88
Rot. Bonds7

About N-(2-ethoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide

N-(2-ethoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide (PubChem CID 109281748) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
PubChem CID109281748
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-(2-ethoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cnc(NCc2ccc(F)cc2)cn1
InChIInChI=1S/C20H19FN4O2/c1-2-27-18-6-4-3-5-16(18)25-20(26)17-12-24-19(13-22-17)23-11-14-7-9-15(21)10-8-14/h3-10,12-13H,2,11H2,1H3,(H,23,24)(H,25,26)
InChIKeyRNKJEKKWXMKJQI-UHFFFAOYSA-N
XLogP3.88
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281497
5-(benzylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109279891
5-[(4-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281756
N-(2,3-dimethylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281720
N-(2,3-dichlorophenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281781
5-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyrazine-2-carboxamide
CID 109282132
N-(2-fluorophenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282537
5-[2-(4-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109284560
N-(2-ethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191680
6-(benzylamino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide
CID 109117781
5-(butan-2-ylamino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
CID 109273434
5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
CID 109292315

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide (CID 109281748) is N-(2-ethoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide is CCOc1ccccc1NC(=O)c1cnc(NCc2ccc(F)cc2)cn1.
What is the InChIKey of N-(2-ethoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide?
The InChIKey is RNKJEKKWXMKJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-2-27-18-6-4-3-5-16(18)25-20(26)17-12-24-19(13-22-17)23-11-14-7-9-15(21)10-8-14/h3-10,12-13H,2,11H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-(2-ethoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide?
N-(2-ethoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109281748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).