(5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxamide;methane;methyl 6-bromo-3-chloropyrazine-2-carboxylate;methyl 6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxylate

C54H64BrClN14O11 — CID 160785429

IUPAC(5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxamide;methane;methyl 6-bromo-3-chloropyrazine-2-carboxylate;methyl 6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxylate
SMILESC.COC(=O)c1nc(-c2cncc(C)c2)cnc1N1CCOCC1.COC(=O)c1nc(Br)cnc1Cl.COc1ccc(CN)nc1OC.COc1ccc(CNC(=O)c2nc(-c3cncc(C)c3)cnc2N2CCOCC2)nc1OC
InChIInChI=1S/C23H26N6O4.C16H18N4O3.C8H12N2O2.C6H4BrClN2O2.CH4/c1-15-10-16(12-24-11-15)18-14-25-21(29-6-8-33-9-7-29)20(28-18)22(30)26-13-17-4-5-19(31-2)23(27-17)32-3;1-11-7-12(9-17-8-11)13-10-18-15(14(19-13)16(21)22-2)20-3-5-23-6-4-20;1-11-7-4-3-6(5-9)10-8(7)12-2;1-12-6(11)4-5(8)9-2-3(7)10-4;/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,26,30);7-10H,3-6H2,1-2H3;3-4H,5,9H2,1-2H3;2H,1H3;1H4
InChIKeySBDHNMUODVOOCQ-UHFFFAOYSA-N
MW1200.55 g/mol
LogP6.37
Rot. Bonds14

About (5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxamide;methane;methyl 6-bromo-3-chloropyrazine-2-carboxylate;methyl 6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxylate

(5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxamide;methane;methyl 6-bromo-3-chloropyrazine-2-carboxylate;methyl 6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxylate (PubChem CID 160785429) has the molecular formula C54H64BrClN14O11 and a molecular weight of 1200.55 g/mol. Its IUPAC name is (5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxamide;methane;methyl 6-bromo-3-chloropyrazine-2-carboxylate;methyl 6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxylate.

Molecular Properties

Compound Name(5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxamide;methane;methyl 6-bromo-3-chloropyrazine-2-carboxylate;methyl 6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxylate
PubChem CID160785429
Molecular FormulaC54H64BrClN14O11
Molecular Weight1200.55 g/mol
Exact Mass1198.38
IUPAC Name(5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxamide;methane;methyl 6-bromo-3-chloropyrazine-2-carboxylate;methyl 6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxylate
SMILESC.COC(=O)c1nc(-c2cncc(C)c2)cnc1N1CCOCC1.COC(=O)c1nc(Br)cnc1Cl.COc1ccc(CN)nc1OC.COc1ccc(CNC(=O)c2nc(-c3cncc(C)c3)cnc2N2CCOCC2)nc1OC
InChIInChI=1S/C23H26N6O4.C16H18N4O3.C8H12N2O2.C6H4BrClN2O2.CH4/c1-15-10-16(12-24-11-15)18-14-25-21(29-6-8-33-9-7-29)20(28-18)22(30)26-13-17-4-5-19(31-2)23(27-17)32-3;1-11-7-12(9-17-8-11)13-10-18-15(14(19-13)16(21)22-2)20-3-5-23-6-4-20;1-11-7-4-3-6(5-9)10-8(7)12-2;1-12-6(11)4-5(8)9-2-3(7)10-4;/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,26,30);7-10H,3-6H2,1-2H3;3-4H,5,9H2,1-2H3;2H,1H3;1H4
InChIKeySBDHNMUODVOOCQ-UHFFFAOYSA-N
XLogP6.37
TPSA298.48 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001200.55
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

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Frequently Asked Questions

What is the IUPAC name of (5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxamide;methane;methyl 6-bromo-3-chloropyrazine-2-carboxylate;methyl 6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxylate?
The IUPAC name of (5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxamide;methane;methyl 6-bromo-3-chloropyrazine-2-carboxylate;methyl 6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxylate (CID 160785429) is (5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxamide;methane;methyl 6-bromo-3-chloropyrazine-2-carboxylate;methyl 6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxylate.
What is the SMILES notation for (5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxamide;methane;methyl 6-bromo-3-chloropyrazine-2-carboxylate;methyl 6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxylate?
The canonical SMILES for (5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxamide;methane;methyl 6-bromo-3-chloropyrazine-2-carboxylate;methyl 6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxylate is C.COC(=O)c1nc(-c2cncc(C)c2)cnc1N1CCOCC1.COC(=O)c1nc(Br)cnc1Cl.COc1ccc(CN)nc1OC.COc1ccc(CNC(=O)c2nc(-c3cncc(C)c3)cnc2N2CCOCC2)nc1OC.
What is the InChIKey of (5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxamide;methane;methyl 6-bromo-3-chloropyrazine-2-carboxylate;methyl 6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxylate?
The InChIKey is SBDHNMUODVOOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4.C16H18N4O3.C8H12N2O2.C6H4BrClN2O2.CH4/c1-15-10-16(12-24-11-15)18-14-25-21(29-6-8-33-9-7-29)20(28-18)22(30)26-13-17-4-5-19(31-2)23(27-17)32-3;1-11-7-12(9-17-8-11)13-10-18-15(14(19-13)16(21)22-2)20-3-5-23-6-4-20;1-11-7-4-3-6(5-9)10-8(7)12-2;1-12-6(11)4-5(8)9-2-3(7)10-4;/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,26,30);7-10H,3-6H2,1-2H3;3-4H,5,9H2,1-2H3;2H,1H3;1H4.
What are the key properties of (5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxamide;methane;methyl 6-bromo-3-chloropyrazine-2-carboxylate;methyl 6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxylate?
(5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxamide;methane;methyl 6-bromo-3-chloropyrazine-2-carboxylate;methyl 6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxylate has a molecular weight of 1200.55 g/mol, XLogP of 6.37, 14 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxamide;methane;methyl 6-bromo-3-chloropyrazine-2-carboxylate;methyl 6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyrazine-2-carboxylate is sourced from PubChem (CID 160785429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).