5-aminopyridine-2-carbonitrile;2-bromo-5-(4-cyclopropylphenyl)-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-(4-cyclopropylphenyl)-1,3-oxazole;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile

C75H63Br2N15O6 — CID 172921154

IUPAC5-aminopyridine-2-carbonitrile;2-bromo-5-(4-cyclopropylphenyl)-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-(4-cyclopropylphenyl)-1,3-oxazole;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
SMILESBrc1ccc(-c2cnco2)cc1.Brc1ncc(-c2ccc(C3CC3)cc2)o1.N#Cc1ccc(N)cn1.N#Cc1ccc(Nc2ncc(-c3ccc(C4CC4)cc3)o2)cn1.N/C(=N\O)c1ccc(Nc2ncc(-c3ccc(C4CC4)cc3)o2)cn1.c1ncc(-c2ccc(C3CC3)cc2)o1
InChIInChI=1S/C18H17N5O2.C18H14N4O.C12H10BrNO.C12H11NO.C9H6BrNO.C6H5N3/c19-17(23-24)15-8-7-14(9-20-15)22-18-21-10-16(25-18)13-5-3-12(4-6-13)11-1-2-11;19-9-15-7-8-16(10-20-15)22-18-21-11-17(23-18)14-5-3-13(4-6-14)12-1-2-12;13-12-14-7-11(15-12)10-5-3-9(4-6-10)8-1-2-8;1-2-9(1)10-3-5-11(6-4-10)12-7-13-8-14-12;10-8-3-1-7(2-4-8)9-5-11-6-12-9;7-3-6-2-1-5(8)4-9-6/h3-11,24H,1-2H2,(H2,19,23)(H,21,22);3-8,10-12H,1-2H2,(H,21,22);3-8H,1-2H2;3-9H,1-2H2;1-6H;1-2,4H,8H2
InChIKeyXTXCNHXZQBLDML-UHFFFAOYSA-N
MW1430.24 g/mol
LogP18.52
Rot. Bonds14

About 5-aminopyridine-2-carbonitrile;2-bromo-5-(4-cyclopropylphenyl)-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-(4-cyclopropylphenyl)-1,3-oxazole;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile

5-aminopyridine-2-carbonitrile;2-bromo-5-(4-cyclopropylphenyl)-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-(4-cyclopropylphenyl)-1,3-oxazole;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile (PubChem CID 172921154) has the molecular formula C75H63Br2N15O6 and a molecular weight of 1430.24 g/mol. Its IUPAC name is 5-aminopyridine-2-carbonitrile;2-bromo-5-(4-cyclopropylphenyl)-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-(4-cyclopropylphenyl)-1,3-oxazole;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-aminopyridine-2-carbonitrile;2-bromo-5-(4-cyclopropylphenyl)-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-(4-cyclopropylphenyl)-1,3-oxazole;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
PubChem CID172921154
Molecular FormulaC75H63Br2N15O6
Molecular Weight1430.24 g/mol
Exact Mass1427.35
IUPAC Name5-aminopyridine-2-carbonitrile;2-bromo-5-(4-cyclopropylphenyl)-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-(4-cyclopropylphenyl)-1,3-oxazole;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
SMILESBrc1ccc(-c2cnco2)cc1.Brc1ncc(-c2ccc(C3CC3)cc2)o1.N#Cc1ccc(N)cn1.N#Cc1ccc(Nc2ncc(-c3ccc(C4CC4)cc3)o2)cn1.N/C(=N\O)c1ccc(Nc2ncc(-c3ccc(C4CC4)cc3)o2)cn1.c1ncc(-c2ccc(C3CC3)cc2)o1
InChIInChI=1S/C18H17N5O2.C18H14N4O.C12H10BrNO.C12H11NO.C9H6BrNO.C6H5N3/c19-17(23-24)15-8-7-14(9-20-15)22-18-21-10-16(25-18)13-5-3-12(4-6-13)11-1-2-11;19-9-15-7-8-16(10-20-15)22-18-21-11-17(23-18)14-5-3-13(4-6-14)12-1-2-12;13-12-14-7-11(15-12)10-5-3-9(4-6-10)8-1-2-8;1-2-9(1)10-3-5-11(6-4-10)12-7-13-8-14-12;10-8-3-1-7(2-4-8)9-5-11-6-12-9;7-3-6-2-1-5(8)4-9-6/h3-11,24H,1-2H2,(H2,19,23)(H,21,22);3-8,10-12H,1-2H2,(H,21,22);3-8H,1-2H2;3-9H,1-2H2;1-6H;1-2,4H,8H2
InChIKeyXTXCNHXZQBLDML-UHFFFAOYSA-N
XLogP18.52
TPSA325.09 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001430.24
LogP ≤ 518.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-aminopyridine-2-carbonitrile;2-bromo-5-(4-cyclopropylphenyl)-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-(4-cyclopropylphenyl)-1,3-oxazole;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-aminopyridine-2-carbonitrile;2-bromo-5-(4-cyclopropylphenyl)-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-(4-cyclopropylphenyl)-1,3-oxazole;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile (CID 172921154) is 5-aminopyridine-2-carbonitrile;2-bromo-5-(4-cyclopropylphenyl)-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-(4-cyclopropylphenyl)-1,3-oxazole;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-aminopyridine-2-carbonitrile;2-bromo-5-(4-cyclopropylphenyl)-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-(4-cyclopropylphenyl)-1,3-oxazole;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-aminopyridine-2-carbonitrile;2-bromo-5-(4-cyclopropylphenyl)-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-(4-cyclopropylphenyl)-1,3-oxazole;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile is Brc1ccc(-c2cnco2)cc1.Brc1ncc(-c2ccc(C3CC3)cc2)o1.N#Cc1ccc(N)cn1.N#Cc1ccc(Nc2ncc(-c3ccc(C4CC4)cc3)o2)cn1.N/C(=N\O)c1ccc(Nc2ncc(-c3ccc(C4CC4)cc3)o2)cn1.c1ncc(-c2ccc(C3CC3)cc2)o1.
What is the InChIKey of 5-aminopyridine-2-carbonitrile;2-bromo-5-(4-cyclopropylphenyl)-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-(4-cyclopropylphenyl)-1,3-oxazole;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?
The InChIKey is XTXCNHXZQBLDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2.C18H14N4O.C12H10BrNO.C12H11NO.C9H6BrNO.C6H5N3/c19-17(23-24)15-8-7-14(9-20-15)22-18-21-10-16(25-18)13-5-3-12(4-6-13)11-1-2-11;19-9-15-7-8-16(10-20-15)22-18-21-11-17(23-18)14-5-3-13(4-6-14)12-1-2-12;13-12-14-7-11(15-12)10-5-3-9(4-6-10)8-1-2-8;1-2-9(1)10-3-5-11(6-4-10)12-7-13-8-14-12;10-8-3-1-7(2-4-8)9-5-11-6-12-9;7-3-6-2-1-5(8)4-9-6/h3-11,24H,1-2H2,(H2,19,23)(H,21,22);3-8,10-12H,1-2H2,(H,21,22);3-8H,1-2H2;3-9H,1-2H2;1-6H;1-2,4H,8H2.
What are the key properties of 5-aminopyridine-2-carbonitrile;2-bromo-5-(4-cyclopropylphenyl)-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-(4-cyclopropylphenyl)-1,3-oxazole;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?
5-aminopyridine-2-carbonitrile;2-bromo-5-(4-cyclopropylphenyl)-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-(4-cyclopropylphenyl)-1,3-oxazole;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile has a molecular weight of 1430.24 g/mol, XLogP of 18.52, 14 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopyridine-2-carbonitrile;2-bromo-5-(4-cyclopropylphenyl)-1,3-oxazole;5-(4-bromophenyl)-1,3-oxazole;5-(4-cyclopropylphenyl)-1,3-oxazole;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(4-cyclopropylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 172921154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).