3-amino-6-[3-[(4-hydroxyphenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide;2,2,2-trifluoroacetic acid

C22H20F3N5O5 — CID 68651766

IUPAC3-amino-6-[3-[(4-hydroxyphenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)c1nc(-c2cccc(C(=O)NCc3ccc(O)cc3)c2)cnc1N.O=C(O)C(F)(F)F
InChIInChI=1S/C20H19N5O3.C2HF3O2/c1-22-20(28)17-18(21)23-11-16(25-17)13-3-2-4-14(9-13)19(27)24-10-12-5-7-15(26)8-6-12;3-2(4,5)1(6)7/h2-9,11,26H,10H2,1H3,(H2,21,23)(H,22,28)(H,24,27);(H,6,7)
InChIKeyVYVVCSRDSFDFDZ-UHFFFAOYSA-N
MW491.43 g/mol
LogP2.35
Rot. Bonds5

About 3-amino-6-[3-[(4-hydroxyphenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide;2,2,2-trifluoroacetic acid

3-amino-6-[3-[(4-hydroxyphenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 68651766) has the molecular formula C22H20F3N5O5 and a molecular weight of 491.43 g/mol. Its IUPAC name is 3-amino-6-[3-[(4-hydroxyphenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-amino-6-[3-[(4-hydroxyphenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID68651766
Molecular FormulaC22H20F3N5O5
Molecular Weight491.43 g/mol
Exact Mass491.14
IUPAC Name3-amino-6-[3-[(4-hydroxyphenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)c1nc(-c2cccc(C(=O)NCc3ccc(O)cc3)c2)cnc1N.O=C(O)C(F)(F)F
InChIInChI=1S/C20H19N5O3.C2HF3O2/c1-22-20(28)17-18(21)23-11-16(25-17)13-3-2-4-14(9-13)19(27)24-10-12-5-7-15(26)8-6-12;3-2(4,5)1(6)7/h2-9,11,26H,10H2,1H3,(H2,21,23)(H,22,28)(H,24,27);(H,6,7)
InChIKeyVYVVCSRDSFDFDZ-UHFFFAOYSA-N
XLogP2.35
TPSA167.53 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.43
LogP ≤ 52.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-6-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651456
3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid
CID 68650248
3-amino-N-methyl-6-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide
CID 68652174
3-amino-N-methyl-6-[3-[[(4-propylbenzoyl)amino]methyl]phenyl]pyrazine-2-carboxamide
CID 68820915
3-amino-6-[3-[(5-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651292
3-amino-N-methyl-6-[3-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide
CID 68651018
3-amino-6-[3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651013
3-[5-amino-6-[2-(4-methylphenyl)acetyl]pyrazin-2-yl]-N-benzylbenzamide
CID 68650974
3-amino-6-[3-[[2-(4-fluorophenyl)phenyl]methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651302
3-amino-6-[3-[[3-[(3Z)-4-(ethylideneamino)buta-1,3-dien-2-yl]phenyl]methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 142827356
3-amino-6-[3-(benzylcarbamoyl)-4-chlorophenyl]-N-methylpyrazine-2-carboxamide
CID 68651264
3-amino-N-[2-[[3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]cyclohexyl]-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 68650751

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-[(4-hydroxyphenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-amino-6-[3-[(4-hydroxyphenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 68651766) is 3-amino-6-[3-[(4-hydroxyphenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-amino-6-[3-[(4-hydroxyphenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-amino-6-[3-[(4-hydroxyphenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide;2,2,2-trifluoroacetic acid is CNC(=O)c1nc(-c2cccc(C(=O)NCc3ccc(O)cc3)c2)cnc1N.O=C(O)C(F)(F)F.
What is the InChIKey of 3-amino-6-[3-[(4-hydroxyphenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is VYVVCSRDSFDFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3.C2HF3O2/c1-22-20(28)17-18(21)23-11-16(25-17)13-3-2-4-14(9-13)19(27)24-10-12-5-7-15(26)8-6-12;3-2(4,5)1(6)7/h2-9,11,26H,10H2,1H3,(H2,21,23)(H,22,28)(H,24,27);(H,6,7).
What are the key properties of 3-amino-6-[3-[(4-hydroxyphenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
3-amino-6-[3-[(4-hydroxyphenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 491.43 g/mol, XLogP of 2.35, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-[(4-hydroxyphenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68651766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).