3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrazine-2-carboxamide;2-bromo-3-(trifluoromethoxy)pyridine;methane;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine

C56H44BrF12N17O11 — CID 161084055

IUPAC3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrazine-2-carboxamide;2-bromo-3-(trifluoromethoxy)pyridine;methane;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESC.Cn1cc(-c2nc(C(=O)NCc3ncccc3OC(F)(F)F)c(N)nc2-c2ncco2)ccc1=O.Cn1cc(-c2nc(C(=O)O)c(N)nc2-c2ncco2)ccc1=O.FC(F)(F)Oc1cccnc1Br.N#Cc1ncccc1OC(F)(F)F.NCc1ncccc1OC(F)(F)F
InChIInChI=1S/C21H16F3N7O4.C14H11N5O4.C7H7F3N2O.C7H3F3N2O.C6H3BrF3NO.CH4/c1-31-10-11(4-5-14(31)32)15-16(20-27-7-8-34-20)30-18(25)17(29-15)19(33)28-9-12-13(3-2-6-26-12)35-21(22,23)24;1-19-6-7(2-3-8(19)20)9-10(13-16-4-5-23-13)18-12(15)11(17-9)14(21)22;2*8-7(9,10)13-6-2-1-3-12-5(6)4-11;7-5-4(2-1-3-11-5)12-6(8,9)10;/h2-8,10H,9H2,1H3,(H2,25,30)(H,28,33);2-6H,1H3,(H2,15,18)(H,21,22);1-3H,4,11H2;1-3H;1-3H;1H4
InChIKeyUGGUKHHPODVIOS-UHFFFAOYSA-N
MW1438.96 g/mol
LogP9.75
Rot. Bonds13

About 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrazine-2-carboxamide;2-bromo-3-(trifluoromethoxy)pyridine;methane;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine

3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrazine-2-carboxamide;2-bromo-3-(trifluoromethoxy)pyridine;methane;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine (PubChem CID 161084055) has the molecular formula C56H44BrF12N17O11 and a molecular weight of 1438.96 g/mol. Its IUPAC name is 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrazine-2-carboxamide;2-bromo-3-(trifluoromethoxy)pyridine;methane;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrazine-2-carboxamide;2-bromo-3-(trifluoromethoxy)pyridine;methane;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine
PubChem CID161084055
Molecular FormulaC56H44BrF12N17O11
Molecular Weight1438.96 g/mol
Exact Mass1437.24
IUPAC Name3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrazine-2-carboxamide;2-bromo-3-(trifluoromethoxy)pyridine;methane;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESC.Cn1cc(-c2nc(C(=O)NCc3ncccc3OC(F)(F)F)c(N)nc2-c2ncco2)ccc1=O.Cn1cc(-c2nc(C(=O)O)c(N)nc2-c2ncco2)ccc1=O.FC(F)(F)Oc1cccnc1Br.N#Cc1ncccc1OC(F)(F)F.NCc1ncccc1OC(F)(F)F
InChIInChI=1S/C21H16F3N7O4.C14H11N5O4.C7H7F3N2O.C7H3F3N2O.C6H3BrF3NO.CH4/c1-31-10-11(4-5-14(31)32)15-16(20-27-7-8-34-20)30-18(25)17(29-15)19(33)28-9-12-13(3-2-6-26-12)35-21(22,23)24;1-19-6-7(2-3-8(19)20)9-10(13-16-4-5-23-13)18-12(15)11(17-9)14(21)22;2*8-7(9,10)13-6-2-1-3-12-5(6)4-11;7-5-4(2-1-3-11-5)12-6(8,9)10;/h2-8,10H,9H2,1H3,(H2,25,30)(H,28,33);2-6H,1H3,(H2,15,18)(H,21,22);1-3H,4,11H2;1-3H;1-3H;1H4
InChIKeyUGGUKHHPODVIOS-UHFFFAOYSA-N
XLogP9.75
TPSA404.35 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds13
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001438.96
LogP ≤ 59.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrazine-2-carboxamide;2-bromo-3-(trifluoromethoxy)pyridine;methane;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrazine-2-carboxamide;2-bromo-3-(trifluoromethoxy)pyridine;methane;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine?
The IUPAC name of 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrazine-2-carboxamide;2-bromo-3-(trifluoromethoxy)pyridine;methane;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine (CID 161084055) is 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrazine-2-carboxamide;2-bromo-3-(trifluoromethoxy)pyridine;methane;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrazine-2-carboxamide;2-bromo-3-(trifluoromethoxy)pyridine;methane;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrazine-2-carboxamide;2-bromo-3-(trifluoromethoxy)pyridine;methane;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine is C.Cn1cc(-c2nc(C(=O)NCc3ncccc3OC(F)(F)F)c(N)nc2-c2ncco2)ccc1=O.Cn1cc(-c2nc(C(=O)O)c(N)nc2-c2ncco2)ccc1=O.FC(F)(F)Oc1cccnc1Br.N#Cc1ncccc1OC(F)(F)F.NCc1ncccc1OC(F)(F)F.
What is the InChIKey of 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrazine-2-carboxamide;2-bromo-3-(trifluoromethoxy)pyridine;methane;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine?
The InChIKey is UGGUKHHPODVIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N7O4.C14H11N5O4.C7H7F3N2O.C7H3F3N2O.C6H3BrF3NO.CH4/c1-31-10-11(4-5-14(31)32)15-16(20-27-7-8-34-20)30-18(25)17(29-15)19(33)28-9-12-13(3-2-6-26-12)35-21(22,23)24;1-19-6-7(2-3-8(19)20)9-10(13-16-4-5-23-13)18-12(15)11(17-9)14(21)22;2*8-7(9,10)13-6-2-1-3-12-5(6)4-11;7-5-4(2-1-3-11-5)12-6(8,9)10;/h2-8,10H,9H2,1H3,(H2,25,30)(H,28,33);2-6H,1H3,(H2,15,18)(H,21,22);1-3H,4,11H2;1-3H;1-3H;1H4.
What are the key properties of 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrazine-2-carboxamide;2-bromo-3-(trifluoromethoxy)pyridine;methane;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine?
3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrazine-2-carboxamide;2-bromo-3-(trifluoromethoxy)pyridine;methane;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine has a molecular weight of 1438.96 g/mol, XLogP of 9.75, 13 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrazine-2-carboxamide;2-bromo-3-(trifluoromethoxy)pyridine;methane;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 161084055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).