3-[5-amino-6-(4-fluoro-3-methoxyphenyl)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]benzamide

C22H24FN5O2 — CID 25106513

IUPAC3-[5-amino-6-(4-fluoro-3-methoxyphenyl)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCOc1cc(-c2nc(-c3cccc(C(=O)NCCN(C)C)c3)cnc2N)ccc1F
InChIInChI=1S/C22H24FN5O2/c1-28(2)10-9-25-22(29)16-6-4-5-14(11-16)18-13-26-21(24)20(27-18)15-7-8-17(23)19(12-15)30-3/h4-8,11-13H,9-10H2,1-3H3,(H2,24,26)(H,25,29)
InChIKeyWQUTWCNIOLVGFH-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.83
Rot. Bonds7

About 3-[5-amino-6-(4-fluoro-3-methoxyphenyl)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]benzamide

3-[5-amino-6-(4-fluoro-3-methoxyphenyl)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 25106513) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 3-[5-amino-6-(4-fluoro-3-methoxyphenyl)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-[5-amino-6-(4-fluoro-3-methoxyphenyl)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID25106513
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name3-[5-amino-6-(4-fluoro-3-methoxyphenyl)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCOc1cc(-c2nc(-c3cccc(C(=O)NCCN(C)C)c3)cnc2N)ccc1F
InChIInChI=1S/C22H24FN5O2/c1-28(2)10-9-25-22(29)16-6-4-5-14(11-16)18-13-26-21(24)20(27-18)15-7-8-17(23)19(12-15)30-3/h4-8,11-13H,9-10H2,1-3H3,(H2,24,26)(H,25,29)
InChIKeyWQUTWCNIOLVGFH-UHFFFAOYSA-N
XLogP2.83
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 10783358
(R)-1-(2,6-difluorobenzyl)-5-(2-fluoro-3-methoxyphenyl)-6-methyl-3-(2-(pyridin-2-ylmethylamino)propyl)pyrimidine-2,4(1H,3H)-dione
CID 11477988
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 53312321
1-(3,5-Dimethyl-4-methoxybenzoyl)-4-[3-[(1-methylethyl)amino]-2-pyridinyl]piperazine
CID 455376
Dipyridodiazepinone deriv. 57
CID 463577
Nevirapin 2,4-Disubstituted deriv. 13d
CID 464571
N-(4-{[3-(2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)-5-Methoxybenzoyl]amino}phenyl)pyridine-2-Carboxamide
CID 78673835
6-(2-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 168276974
N-[6-(Cyclohexanecarbonyl-amino)-pyridin-3-yl]-3-methoxy-benzamide
CID 1452688
4-Methoxy-N-(5-phenylacetylamino-pyridin-2-yl)-benzamide
CID 1452908
N-[3-(3-acetylphenyl)-6-[2-methoxy-phenyl)imidazo [1,2-a]pyridin-8-yl]acetamide
CID 49789743
2-(6-(4-((dimethylamino)methyl)pyridin-2-yl)-2-(3-methoxyphenyl)-4-oxoquinazolin-3(4H)-yl)-N-isopropylacetamide
CID 54586699

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-6-(4-fluoro-3-methoxyphenyl)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 3-[5-amino-6-(4-fluoro-3-methoxyphenyl)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]benzamide (CID 25106513) is 3-[5-amino-6-(4-fluoro-3-methoxyphenyl)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 3-[5-amino-6-(4-fluoro-3-methoxyphenyl)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 3-[5-amino-6-(4-fluoro-3-methoxyphenyl)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]benzamide is COc1cc(-c2nc(-c3cccc(C(=O)NCCN(C)C)c3)cnc2N)ccc1F.
What is the InChIKey of 3-[5-amino-6-(4-fluoro-3-methoxyphenyl)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is WQUTWCNIOLVGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c1-28(2)10-9-25-22(29)16-6-4-5-14(11-16)18-13-26-21(24)20(27-18)15-7-8-17(23)19(12-15)30-3/h4-8,11-13H,9-10H2,1-3H3,(H2,24,26)(H,25,29).
What are the key properties of 3-[5-amino-6-(4-fluoro-3-methoxyphenyl)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]benzamide?
3-[5-amino-6-(4-fluoro-3-methoxyphenyl)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 409.47 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-6-(4-fluoro-3-methoxyphenyl)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 25106513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).