N-(4-fluoro-2-methylphenyl)-5-phenylmethoxypyrazine-2-carboxamide

C19H16FN3O2 — CID 154863196

IUPACN-(4-fluoro-2-methylphenyl)-5-phenylmethoxypyrazine-2-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cnc(OCc2ccccc2)cn1
InChIInChI=1S/C19H16FN3O2/c1-13-9-15(20)7-8-16(13)23-19(24)17-10-22-18(11-21-17)25-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,23,24)
InChIKeyTVQWAOGJAGPNFV-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.76
Rot. Bonds5

About N-(4-fluoro-2-methylphenyl)-5-phenylmethoxypyrazine-2-carboxamide

N-(4-fluoro-2-methylphenyl)-5-phenylmethoxypyrazine-2-carboxamide (PubChem CID 154863196) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-5-phenylmethoxypyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-5-phenylmethoxypyrazine-2-carboxamide
PubChem CID154863196
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC NameN-(4-fluoro-2-methylphenyl)-5-phenylmethoxypyrazine-2-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cnc(OCc2ccccc2)cn1
InChIInChI=1S/C19H16FN3O2/c1-13-9-15(20)7-8-16(13)23-19(24)17-10-22-18(11-21-17)25-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,23,24)
InChIKeyTVQWAOGJAGPNFV-UHFFFAOYSA-N
XLogP3.76
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107374291
N-(4-fluoro-2-methylphenyl)-2-(3-phenylmethoxyphenyl)acetamide
CID 23440855
N-(4-fluoro-2-methylphenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642384
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
5-phenylmethoxy-N-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazine-2-carboxamide
CID 155956166
N-(2-fluoro-4-methylphenyl)-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide
CID 58368114
2-chloro-N-(4-fluoro-2-methylphenyl)-2-phenylacetamide
CID 43212453
N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 7751880
N-(4-fluoro-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107021334
N-[[4-(pentafluoro-λ6-sulfanyl)phenyl]methyl]-5-phenylmethoxypyrazine-2-carboxamide
CID 167756159
N-(4-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281739
N-[1-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-5-phenylmethoxypyrazine-2-carboxamide
CID 155962297

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-5-phenylmethoxypyrazine-2-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-5-phenylmethoxypyrazine-2-carboxamide (CID 154863196) is N-(4-fluoro-2-methylphenyl)-5-phenylmethoxypyrazine-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-5-phenylmethoxypyrazine-2-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-5-phenylmethoxypyrazine-2-carboxamide is Cc1cc(F)ccc1NC(=O)c1cnc(OCc2ccccc2)cn1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-5-phenylmethoxypyrazine-2-carboxamide?
The InChIKey is TVQWAOGJAGPNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-13-9-15(20)7-8-16(13)23-19(24)17-10-22-18(11-21-17)25-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,23,24).
What are the key properties of N-(4-fluoro-2-methylphenyl)-5-phenylmethoxypyrazine-2-carboxamide?
N-(4-fluoro-2-methylphenyl)-5-phenylmethoxypyrazine-2-carboxamide has a molecular weight of 337.35 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-5-phenylmethoxypyrazine-2-carboxamide is sourced from PubChem (CID 154863196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).