2-amino-5-bromopyridine-4-carbonitrile;4-[6-amino-4-[(dimethylamino)methyl]-3-pyridinyl]oxan-4-ol;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;tert-butyl N-[4-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]carbamate;methane;oxan-4-one

C83H114Br5N21O10 — CID 162033990

IUPAC2-amino-5-bromopyridine-4-carbonitrile;4-[6-amino-4-[(dimethylamino)methyl]-3-pyridinyl]oxan-4-ol;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;tert-butyl N-[4-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]carbamate;methane;oxan-4-one
SMILESC.CC(C)(C)OC(=O)Nc1cc(C#N)c(Br)cn1.CN(C)Cc1cc(N)ncc1C1(O)CCOCC1.CN(C)Cc1cc(NC(=O)OC(C)(C)C)ncc1C1(O)CCOCC1.Cc1cc(CN(C)C)c(Br)cn1.Cc1cc(CN)c(Br)cn1.Cc1cc(CN)c(Br)cn1.N#Cc1cc(N)ncc1Br.N#Cc1ccnc(N)c1.O=C1CCOCC1
InChIInChI=1S/C18H29N3O4.C13H21N3O2.C11H12BrN3O2.C9H13BrN2.2C7H9BrN2.C6H4BrN3.C6H5N3.C5H8O2.CH4/c1-17(2,3)25-16(22)20-15-10-13(12-21(4)5)14(11-19-15)18(23)6-8-24-9-7-18;1-16(2)9-10-7-12(14)15-8-11(10)13(17)3-5-18-6-4-13;1-11(2,3)17-10(16)15-9-4-7(5-13)8(12)6-14-9;1-7-4-8(6-12(2)3)9(10)5-11-7;2*1-5-2-6(3-9)7(8)4-10-5;7-5-3-10-6(9)1-4(5)2-8;7-4-5-1-2-9-6(8)3-5;6-5-1-3-7-4-2-5;/h10-11,23H,6-9,12H2,1-5H3,(H,19,20,22);7-8,17H,3-6,9H2,1-2H3,(H2,14,15);4,6H,1-3H3,(H,14,15,16);4-5H,6H2,1-3H3;2*2,4H,3,9H2,1H3;1,3H,(H2,9,10);1-3H,(H2,8,9);1-4H2;1H4
InChIKeyYWKCFEBWBJCMIF-UHFFFAOYSA-N
MW1965.48 g/mol
LogP14.55
Rot. Bonds12

About 2-amino-5-bromopyridine-4-carbonitrile;4-[6-amino-4-[(dimethylamino)methyl]-3-pyridinyl]oxan-4-ol;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;tert-butyl N-[4-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]carbamate;methane;oxan-4-one

2-amino-5-bromopyridine-4-carbonitrile;4-[6-amino-4-[(dimethylamino)methyl]-3-pyridinyl]oxan-4-ol;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;tert-butyl N-[4-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]carbamate;methane;oxan-4-one (PubChem CID 162033990) has the molecular formula C83H114Br5N21O10 and a molecular weight of 1965.48 g/mol. Its IUPAC name is 2-amino-5-bromopyridine-4-carbonitrile;4-[6-amino-4-[(dimethylamino)methyl]-3-pyridinyl]oxan-4-ol;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;tert-butyl N-[4-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]carbamate;methane;oxan-4-one.

Molecular Properties

Compound Name2-amino-5-bromopyridine-4-carbonitrile;4-[6-amino-4-[(dimethylamino)methyl]-3-pyridinyl]oxan-4-ol;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;tert-butyl N-[4-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]carbamate;methane;oxan-4-one
PubChem CID162033990
Molecular FormulaC83H114Br5N21O10
Molecular Weight1965.48 g/mol
Exact Mass1959.50
IUPAC Name2-amino-5-bromopyridine-4-carbonitrile;4-[6-amino-4-[(dimethylamino)methyl]-3-pyridinyl]oxan-4-ol;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;tert-butyl N-[4-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]carbamate;methane;oxan-4-one
SMILESC.CC(C)(C)OC(=O)Nc1cc(C#N)c(Br)cn1.CN(C)Cc1cc(N)ncc1C1(O)CCOCC1.CN(C)Cc1cc(NC(=O)OC(C)(C)C)ncc1C1(O)CCOCC1.Cc1cc(CN(C)C)c(Br)cn1.Cc1cc(CN)c(Br)cn1.Cc1cc(CN)c(Br)cn1.N#Cc1cc(N)ncc1Br.N#Cc1ccnc(N)c1.O=C1CCOCC1
InChIInChI=1S/C18H29N3O4.C13H21N3O2.C11H12BrN3O2.C9H13BrN2.2C7H9BrN2.C6H4BrN3.C6H5N3.C5H8O2.CH4/c1-17(2,3)25-16(22)20-15-10-13(12-21(4)5)14(11-19-15)18(23)6-8-24-9-7-18;1-16(2)9-10-7-12(14)15-8-11(10)13(17)3-5-18-6-4-13;1-11(2,3)17-10(16)15-9-4-7(5-13)8(12)6-14-9;1-7-4-8(6-12(2)3)9(10)5-11-7;2*1-5-2-6(3-9)7(8)4-10-5;7-5-3-10-6(9)1-4(5)2-8;7-4-5-1-2-9-6(8)3-5;6-5-1-3-7-4-2-5;/h10-11,23H,6-9,12H2,1-5H3,(H,19,20,22);7-8,17H,3-6,9H2,1-2H3,(H2,14,15);4,6H,1-3H3,(H,14,15,16);4-5H,6H2,1-3H3;2*2,4H,3,9H2,1H3;1,3H,(H2,9,10);1-3H,(H2,8,9);1-4H2;1H4
InChIKeyYWKCFEBWBJCMIF-UHFFFAOYSA-N
XLogP14.55
TPSA476.19 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds12
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001965.48
LogP ≤ 514.55
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Analyze 2-amino-5-bromopyridine-4-carbonitrile;4-[6-amino-4-[(dimethylamino)methyl]-3-pyridinyl]oxan-4-ol;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;tert-butyl N-[4-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]carbamate;methane;oxan-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromopyridine-4-carbonitrile;4-[6-amino-4-[(dimethylamino)methyl]-3-pyridinyl]oxan-4-ol;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;tert-butyl N-[4-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]carbamate;methane;oxan-4-one?
The IUPAC name of 2-amino-5-bromopyridine-4-carbonitrile;4-[6-amino-4-[(dimethylamino)methyl]-3-pyridinyl]oxan-4-ol;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;tert-butyl N-[4-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]carbamate;methane;oxan-4-one (CID 162033990) is 2-amino-5-bromopyridine-4-carbonitrile;4-[6-amino-4-[(dimethylamino)methyl]-3-pyridinyl]oxan-4-ol;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;tert-butyl N-[4-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]carbamate;methane;oxan-4-one.
What is the SMILES notation for 2-amino-5-bromopyridine-4-carbonitrile;4-[6-amino-4-[(dimethylamino)methyl]-3-pyridinyl]oxan-4-ol;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;tert-butyl N-[4-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]carbamate;methane;oxan-4-one?
The canonical SMILES for 2-amino-5-bromopyridine-4-carbonitrile;4-[6-amino-4-[(dimethylamino)methyl]-3-pyridinyl]oxan-4-ol;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;tert-butyl N-[4-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]carbamate;methane;oxan-4-one is C.CC(C)(C)OC(=O)Nc1cc(C#N)c(Br)cn1.CN(C)Cc1cc(N)ncc1C1(O)CCOCC1.CN(C)Cc1cc(NC(=O)OC(C)(C)C)ncc1C1(O)CCOCC1.Cc1cc(CN(C)C)c(Br)cn1.Cc1cc(CN)c(Br)cn1.Cc1cc(CN)c(Br)cn1.N#Cc1cc(N)ncc1Br.N#Cc1ccnc(N)c1.O=C1CCOCC1.
What is the InChIKey of 2-amino-5-bromopyridine-4-carbonitrile;4-[6-amino-4-[(dimethylamino)methyl]-3-pyridinyl]oxan-4-ol;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;tert-butyl N-[4-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]carbamate;methane;oxan-4-one?
The InChIKey is YWKCFEBWBJCMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4.C13H21N3O2.C11H12BrN3O2.C9H13BrN2.2C7H9BrN2.C6H4BrN3.C6H5N3.C5H8O2.CH4/c1-17(2,3)25-16(22)20-15-10-13(12-21(4)5)14(11-19-15)18(23)6-8-24-9-7-18;1-16(2)9-10-7-12(14)15-8-11(10)13(17)3-5-18-6-4-13;1-11(2,3)17-10(16)15-9-4-7(5-13)8(12)6-14-9;1-7-4-8(6-12(2)3)9(10)5-11-7;2*1-5-2-6(3-9)7(8)4-10-5;7-5-3-10-6(9)1-4(5)2-8;7-4-5-1-2-9-6(8)3-5;6-5-1-3-7-4-2-5;/h10-11,23H,6-9,12H2,1-5H3,(H,19,20,22);7-8,17H,3-6,9H2,1-2H3,(H2,14,15);4,6H,1-3H3,(H,14,15,16);4-5H,6H2,1-3H3;2*2,4H,3,9H2,1H3;1,3H,(H2,9,10);1-3H,(H2,8,9);1-4H2;1H4.
What are the key properties of 2-amino-5-bromopyridine-4-carbonitrile;4-[6-amino-4-[(dimethylamino)methyl]-3-pyridinyl]oxan-4-ol;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;tert-butyl N-[4-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]carbamate;methane;oxan-4-one?
2-amino-5-bromopyridine-4-carbonitrile;4-[6-amino-4-[(dimethylamino)methyl]-3-pyridinyl]oxan-4-ol;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;tert-butyl N-[4-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]carbamate;methane;oxan-4-one has a molecular weight of 1965.48 g/mol, XLogP of 14.55, 12 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromopyridine-4-carbonitrile;4-[6-amino-4-[(dimethylamino)methyl]-3-pyridinyl]oxan-4-ol;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;tert-butyl N-[4-[(dimethylamino)methyl]-5-(4-hydroxyoxan-4-yl)-2-pyridinyl]carbamate;methane;oxan-4-one is sourced from PubChem (CID 162033990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).