3-amino-N-[3-[(3-fluorophenoxy)methyl]phenyl]pyrazine-2-carboxamide

C18H15FN4O2 — CID 38613495

IUPAC3-amino-N-[3-[(3-fluorophenoxy)methyl]phenyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1cccc(COc2cccc(F)c2)c1
InChIInChI=1S/C18H15FN4O2/c19-13-4-2-6-15(10-13)25-11-12-3-1-5-14(9-12)23-18(24)16-17(20)22-8-7-21-16/h1-10H,11H2,(H2,20,22)(H,23,24)
InChIKeyRYILFKBPJLFBIN-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.03
Rot. Bonds5

About 3-amino-N-[3-[(3-fluorophenoxy)methyl]phenyl]pyrazine-2-carboxamide

3-amino-N-[3-[(3-fluorophenoxy)methyl]phenyl]pyrazine-2-carboxamide (PubChem CID 38613495) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 3-amino-N-[3-[(3-fluorophenoxy)methyl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-[(3-fluorophenoxy)methyl]phenyl]pyrazine-2-carboxamide
PubChem CID38613495
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name3-amino-N-[3-[(3-fluorophenoxy)methyl]phenyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1cccc(COc2cccc(F)c2)c1
InChIInChI=1S/C18H15FN4O2/c19-13-4-2-6-15(10-13)25-11-12-3-1-5-14(9-12)23-18(24)16-17(20)22-8-7-21-16/h1-10H,11H2,(H2,20,22)(H,23,24)
InChIKeyRYILFKBPJLFBIN-UHFFFAOYSA-N
XLogP3.03
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 38614359
3-amino-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 46673484
3-[(3-fluorophenoxy)methyl]benzohydrazide
CID 63576868
3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pyrazine-2-carboxamide
CID 38587212
3-amino-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
CID 30831505
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 38612951
3-amino-N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
CID 136525918
2-ethylsulfinyl-N-[3-[(3-fluorophenoxy)methyl]phenyl]benzamide
CID 112821396
N-[3-[(3-fluorophenoxy)methyl]phenyl]-4-(1,3-oxazol-5-yl)benzamide
CID 55836607
2-amino-4-methyl-N-[3-[(3-methylphenyl)methoxy]phenyl]pyridine-3-carboxamide
CID 174610770
2-amino-4-methyl-N-(3-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 174625351
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-phenoxyethoxy)acetamide
CID 55761188

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[(3-fluorophenoxy)methyl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-[(3-fluorophenoxy)methyl]phenyl]pyrazine-2-carboxamide (CID 38613495) is 3-amino-N-[3-[(3-fluorophenoxy)methyl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-[(3-fluorophenoxy)methyl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-[(3-fluorophenoxy)methyl]phenyl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)Nc1cccc(COc2cccc(F)c2)c1.
What is the InChIKey of 3-amino-N-[3-[(3-fluorophenoxy)methyl]phenyl]pyrazine-2-carboxamide?
The InChIKey is RYILFKBPJLFBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c19-13-4-2-6-15(10-13)25-11-12-3-1-5-14(9-12)23-18(24)16-17(20)22-8-7-21-16/h1-10H,11H2,(H2,20,22)(H,23,24).
What are the key properties of 3-amino-N-[3-[(3-fluorophenoxy)methyl]phenyl]pyrazine-2-carboxamide?
3-amino-N-[3-[(3-fluorophenoxy)methyl]phenyl]pyrazine-2-carboxamide has a molecular weight of 338.34 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[(3-fluorophenoxy)methyl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 38613495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).