N-[4-(5-bromo-3-pyridinyl)-2-pyridinyl]acetamide;3,5-dibromopyridine;1,3-oxazol-2-amine;N-[4-[5-(1,3-oxazol-2-ylamino)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one

C49H50BBr3N12O7 — CID 159419177

IUPACN-[4-(5-bromo-3-pyridinyl)-2-pyridinyl]acetamide;3,5-dibromopyridine;1,3-oxazol-2-amine;N-[4-[5-(1,3-oxazol-2-ylamino)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one
SMILESBrc1cncc(Br)c1.CC(=O)Cc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CC(=O)Nc1cc(-c2cncc(Br)c2)ccn1.CC(=O)Nc1cc(-c2cncc(Nc3ncco3)c2)ccn1.Nc1ncco1
InChIInChI=1S/C15H13N5O2.C14H20BNO3.C12H10BrN3O.C5H3Br2N.C3H4N2O/c1-10(21)19-14-7-11(2-3-17-14)12-6-13(9-16-8-12)20-15-18-4-5-22-15;1-10(17)8-12-9-11(6-7-16-12)15-18-13(2,3)14(4,5)19-15;1-8(17)16-12-5-9(2-3-15-12)10-4-11(13)7-14-6-10;6-4-1-5(7)3-8-2-4;4-3-5-1-2-6-3/h2-9H,1H3,(H,18,20)(H,17,19,21);6-7,9H,8H2,1-5H3;2-7H,1H3,(H,15,16,17);1-3H;1-2H,(H2,4,5)
InChIKeyLPNWLRSVXDNQPU-UHFFFAOYSA-N
MW1169.54 g/mol
LogP10.07
Rot. Bonds9

About N-[4-(5-bromo-3-pyridinyl)-2-pyridinyl]acetamide;3,5-dibromopyridine;1,3-oxazol-2-amine;N-[4-[5-(1,3-oxazol-2-ylamino)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one

N-[4-(5-bromo-3-pyridinyl)-2-pyridinyl]acetamide;3,5-dibromopyridine;1,3-oxazol-2-amine;N-[4-[5-(1,3-oxazol-2-ylamino)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one (PubChem CID 159419177) has the molecular formula C49H50BBr3N12O7 and a molecular weight of 1169.54 g/mol. Its IUPAC name is N-[4-(5-bromo-3-pyridinyl)-2-pyridinyl]acetamide;3,5-dibromopyridine;1,3-oxazol-2-amine;N-[4-[5-(1,3-oxazol-2-ylamino)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one.

Molecular Properties

Compound NameN-[4-(5-bromo-3-pyridinyl)-2-pyridinyl]acetamide;3,5-dibromopyridine;1,3-oxazol-2-amine;N-[4-[5-(1,3-oxazol-2-ylamino)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one
PubChem CID159419177
Molecular FormulaC49H50BBr3N12O7
Molecular Weight1169.54 g/mol
Exact Mass1166.16
IUPAC NameN-[4-(5-bromo-3-pyridinyl)-2-pyridinyl]acetamide;3,5-dibromopyridine;1,3-oxazol-2-amine;N-[4-[5-(1,3-oxazol-2-ylamino)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one
SMILESBrc1cncc(Br)c1.CC(=O)Cc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CC(=O)Nc1cc(-c2cncc(Br)c2)ccn1.CC(=O)Nc1cc(-c2cncc(Nc3ncco3)c2)ccn1.Nc1ncco1
InChIInChI=1S/C15H13N5O2.C14H20BNO3.C12H10BrN3O.C5H3Br2N.C3H4N2O/c1-10(21)19-14-7-11(2-3-17-14)12-6-13(9-16-8-12)20-15-18-4-5-22-15;1-10(17)8-12-9-11(6-7-16-12)15-18-13(2,3)14(4,5)19-15;1-8(17)16-12-5-9(2-3-15-12)10-4-11(13)7-14-6-10;6-4-1-5(7)3-8-2-4;4-3-5-1-2-6-3/h2-9H,1H3,(H,18,20)(H,17,19,21);6-7,9H,8H2,1-5H3;2-7H,1H3,(H,15,16,17);1-3H;1-2H,(H2,4,5)
InChIKeyLPNWLRSVXDNQPU-UHFFFAOYSA-N
XLogP10.07
TPSA261.18 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001169.54
LogP ≤ 510.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-[4-(5-bromo-3-pyridinyl)-2-pyridinyl]acetamide;3,5-dibromopyridine;1,3-oxazol-2-amine;N-[4-[5-(1,3-oxazol-2-ylamino)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-bromo-3-pyridinyl)-2-pyridinyl]acetamide;3,5-dibromopyridine;1,3-oxazol-2-amine;N-[4-[5-(1,3-oxazol-2-ylamino)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one?
The IUPAC name of N-[4-(5-bromo-3-pyridinyl)-2-pyridinyl]acetamide;3,5-dibromopyridine;1,3-oxazol-2-amine;N-[4-[5-(1,3-oxazol-2-ylamino)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one (CID 159419177) is N-[4-(5-bromo-3-pyridinyl)-2-pyridinyl]acetamide;3,5-dibromopyridine;1,3-oxazol-2-amine;N-[4-[5-(1,3-oxazol-2-ylamino)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one.
What is the SMILES notation for N-[4-(5-bromo-3-pyridinyl)-2-pyridinyl]acetamide;3,5-dibromopyridine;1,3-oxazol-2-amine;N-[4-[5-(1,3-oxazol-2-ylamino)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one?
The canonical SMILES for N-[4-(5-bromo-3-pyridinyl)-2-pyridinyl]acetamide;3,5-dibromopyridine;1,3-oxazol-2-amine;N-[4-[5-(1,3-oxazol-2-ylamino)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one is Brc1cncc(Br)c1.CC(=O)Cc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CC(=O)Nc1cc(-c2cncc(Br)c2)ccn1.CC(=O)Nc1cc(-c2cncc(Nc3ncco3)c2)ccn1.Nc1ncco1.
What is the InChIKey of N-[4-(5-bromo-3-pyridinyl)-2-pyridinyl]acetamide;3,5-dibromopyridine;1,3-oxazol-2-amine;N-[4-[5-(1,3-oxazol-2-ylamino)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one?
The InChIKey is LPNWLRSVXDNQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2.C14H20BNO3.C12H10BrN3O.C5H3Br2N.C3H4N2O/c1-10(21)19-14-7-11(2-3-17-14)12-6-13(9-16-8-12)20-15-18-4-5-22-15;1-10(17)8-12-9-11(6-7-16-12)15-18-13(2,3)14(4,5)19-15;1-8(17)16-12-5-9(2-3-15-12)10-4-11(13)7-14-6-10;6-4-1-5(7)3-8-2-4;4-3-5-1-2-6-3/h2-9H,1H3,(H,18,20)(H,17,19,21);6-7,9H,8H2,1-5H3;2-7H,1H3,(H,15,16,17);1-3H;1-2H,(H2,4,5).
What are the key properties of N-[4-(5-bromo-3-pyridinyl)-2-pyridinyl]acetamide;3,5-dibromopyridine;1,3-oxazol-2-amine;N-[4-[5-(1,3-oxazol-2-ylamino)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one?
N-[4-(5-bromo-3-pyridinyl)-2-pyridinyl]acetamide;3,5-dibromopyridine;1,3-oxazol-2-amine;N-[4-[5-(1,3-oxazol-2-ylamino)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one has a molecular weight of 1169.54 g/mol, XLogP of 10.07, 9 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-bromo-3-pyridinyl)-2-pyridinyl]acetamide;3,5-dibromopyridine;1,3-oxazol-2-amine;N-[4-[5-(1,3-oxazol-2-ylamino)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-one is sourced from PubChem (CID 159419177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).