3-amino-N-[[6-(methylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;6-(aminomethyl)-N-methylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N-methylpyridin-2-amine;methane

C57H60BrN21O7 — CID 158010600

IUPAC3-amino-N-[[6-(methylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;6-(aminomethyl)-N-methylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N-methylpyridin-2-amine;methane
SMILESC.C.CNc1cccc(CN)n1.CNc1cccc(CNC(=O)c2nc(-c3ccc(=O)n(C)c3)c(-c3ncco3)nc2N)n1.Cn1cc(-c2nc(C(=O)O)c(N)nc2-c2ncco2)ccc1=O.[C-]#[N+]c1cccc(Br)n1.[C-]#[N+]c1cccc(NC)n1
InChIInChI=1S/C21H20N8O3.C14H11N5O4.C7H7N3.C7H11N3.C6H3BrN2.2CH4/c1-23-14-5-3-4-13(26-14)10-25-20(31)18-19(22)28-17(21-24-8-9-32-21)16(27-18)12-6-7-15(30)29(2)11-12;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;1-8-6-4-3-5-7(9-2)10-6;1-9-7-4-2-3-6(5-8)10-7;1-8-6-4-2-3-5(7)9-6;;/h3-9,11H,10H2,1-2H3,(H2,22,28)(H,23,26)(H,25,31);2-6H,1H3,(H2,15,18)(H,21,22);3-5H,1H3,(H,8,10);2-4H,5,8H2,1H3,(H,9,10);2-4H;2*1H4
InChIKeyFEVJMGPSIJOBKH-UHFFFAOYSA-N
MW1231.15 g/mol
LogP8.15
Rot. Bonds12

About 3-amino-N-[[6-(methylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;6-(aminomethyl)-N-methylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N-methylpyridin-2-amine;methane

3-amino-N-[[6-(methylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;6-(aminomethyl)-N-methylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N-methylpyridin-2-amine;methane (PubChem CID 158010600) has the molecular formula C57H60BrN21O7 and a molecular weight of 1231.15 g/mol. Its IUPAC name is 3-amino-N-[[6-(methylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;6-(aminomethyl)-N-methylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N-methylpyridin-2-amine;methane.

Molecular Properties

Compound Name3-amino-N-[[6-(methylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;6-(aminomethyl)-N-methylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N-methylpyridin-2-amine;methane
PubChem CID158010600
Molecular FormulaC57H60BrN21O7
Molecular Weight1231.15 g/mol
Exact Mass1229.42
IUPAC Name3-amino-N-[[6-(methylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;6-(aminomethyl)-N-methylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N-methylpyridin-2-amine;methane
SMILESC.C.CNc1cccc(CN)n1.CNc1cccc(CNC(=O)c2nc(-c3ccc(=O)n(C)c3)c(-c3ncco3)nc2N)n1.Cn1cc(-c2nc(C(=O)O)c(N)nc2-c2ncco2)ccc1=O.[C-]#[N+]c1cccc(Br)n1.[C-]#[N+]c1cccc(NC)n1
InChIInChI=1S/C21H20N8O3.C14H11N5O4.C7H7N3.C7H11N3.C6H3BrN2.2CH4/c1-23-14-5-3-4-13(26-14)10-25-20(31)18-19(22)28-17(21-24-8-9-32-21)16(27-18)12-6-7-15(30)29(2)11-12;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;1-8-6-4-3-5-7(9-2)10-6;1-9-7-4-2-3-6(5-8)10-7;1-8-6-4-2-3-5(7)9-6;;/h3-9,11H,10H2,1-2H3,(H2,22,28)(H,23,26)(H,25,31);2-6H,1H3,(H2,15,18)(H,21,22);3-5H,1H3,(H,8,10);2-4H,5,8H2,1H3,(H,9,10);2-4H;2*1H4
InChIKeyFEVJMGPSIJOBKH-UHFFFAOYSA-N
XLogP8.15
TPSA388.45 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001231.15
LogP ≤ 58.15
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 3-amino-N-[[6-(methylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;6-(aminomethyl)-N-methylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N-methylpyridin-2-amine;methane with MolForge

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Related Compounds

CID 146380513
CID 146380513
CID 155209303
CID 155209303
CID 161084055
CID 161084055
CID 162209131
CID 162209131
CID 146380582
CID 146380582
CID 146386437
CID 146386437
CID 157591433
CID 157591433
CID 157726724
CID 157726724
CID 157746674
CID 157746674
CID 158220307
CID 158220307
CID 158648556
CID 158648556
CID 159008127
CID 159008127

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[6-(methylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;6-(aminomethyl)-N-methylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N-methylpyridin-2-amine;methane?
The IUPAC name of 3-amino-N-[[6-(methylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;6-(aminomethyl)-N-methylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N-methylpyridin-2-amine;methane (CID 158010600) is 3-amino-N-[[6-(methylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;6-(aminomethyl)-N-methylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N-methylpyridin-2-amine;methane.
What is the SMILES notation for 3-amino-N-[[6-(methylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;6-(aminomethyl)-N-methylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N-methylpyridin-2-amine;methane?
The canonical SMILES for 3-amino-N-[[6-(methylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;6-(aminomethyl)-N-methylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N-methylpyridin-2-amine;methane is C.C.CNc1cccc(CN)n1.CNc1cccc(CNC(=O)c2nc(-c3ccc(=O)n(C)c3)c(-c3ncco3)nc2N)n1.Cn1cc(-c2nc(C(=O)O)c(N)nc2-c2ncco2)ccc1=O.[C-]#[N+]c1cccc(Br)n1.[C-]#[N+]c1cccc(NC)n1.
What is the InChIKey of 3-amino-N-[[6-(methylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;6-(aminomethyl)-N-methylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N-methylpyridin-2-amine;methane?
The InChIKey is FEVJMGPSIJOBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O3.C14H11N5O4.C7H7N3.C7H11N3.C6H3BrN2.2CH4/c1-23-14-5-3-4-13(26-14)10-25-20(31)18-19(22)28-17(21-24-8-9-32-21)16(27-18)12-6-7-15(30)29(2)11-12;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;1-8-6-4-3-5-7(9-2)10-6;1-9-7-4-2-3-6(5-8)10-7;1-8-6-4-2-3-5(7)9-6;;/h3-9,11H,10H2,1-2H3,(H2,22,28)(H,23,26)(H,25,31);2-6H,1H3,(H2,15,18)(H,21,22);3-5H,1H3,(H,8,10);2-4H,5,8H2,1H3,(H,9,10);2-4H;2*1H4.
What are the key properties of 3-amino-N-[[6-(methylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;6-(aminomethyl)-N-methylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N-methylpyridin-2-amine;methane?
3-amino-N-[[6-(methylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;6-(aminomethyl)-N-methylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N-methylpyridin-2-amine;methane has a molecular weight of 1231.15 g/mol, XLogP of 8.15, 12 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[6-(methylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;6-(aminomethyl)-N-methylpyridin-2-amine;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;2-bromo-6-isocyanopyridine;6-isocyano-N-methylpyridin-2-amine;methane is sourced from PubChem (CID 158010600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).