N-(3-bromophenyl)-N-hydroxy-2-(methylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide

C14H13BrN6O — CID 122704520

IUPACN-(3-bromophenyl)-N-hydroxy-2-(methylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide
SMILES[H]/N=C(/c1ccnc2nc(NC)[nH]c12)N(O)c1cccc(Br)c1
InChIInChI=1S/C14H13BrN6O/c1-17-14-19-11-10(5-6-18-13(11)20-14)12(16)21(22)9-4-2-3-8(15)7-9/h2-7,16,22H,1H3,(H2,17,18,19,20)/b16-12-
InChIKeyYKMBBVWIXQXBTO-VBKFSLOCSA-N
MW361.20 g/mol
LogP2.98
Rot. Bonds3

About N-(3-bromophenyl)-N-hydroxy-2-(methylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide

N-(3-bromophenyl)-N-hydroxy-2-(methylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide (PubChem CID 122704520) has the molecular formula C14H13BrN6O and a molecular weight of 361.20 g/mol. Its IUPAC name is N-(3-bromophenyl)-N-hydroxy-2-(methylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N-hydroxy-2-(methylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide
PubChem CID122704520
Molecular FormulaC14H13BrN6O
Molecular Weight361.20 g/mol
Exact Mass360.03
IUPAC NameN-(3-bromophenyl)-N-hydroxy-2-(methylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide
SMILES[H]/N=C(/c1ccnc2nc(NC)[nH]c12)N(O)c1cccc(Br)c1
InChIInChI=1S/C14H13BrN6O/c1-17-14-19-11-10(5-6-18-13(11)20-14)12(16)21(22)9-4-2-3-8(15)7-9/h2-7,16,22H,1H3,(H2,17,18,19,20)/b16-12-
InChIKeyYKMBBVWIXQXBTO-VBKFSLOCSA-N
XLogP2.98
TPSA100.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 52.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromophenyl)-N-hydroxy-2-(2-methylsulfonylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 122704591
N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]-7-fluoro-N-hydroxy-3H-benzimidazole-4-carboximidamide
CID 122704557
[7-[N-(3-chloro-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1H-imidazo[4,5-b]pyridin-2-yl]carbamic acid
CID 122704305
N-(3-chlorophenyl)-N-hydroxy-2-(2-piperidin-1-ylethyl)-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 122704337
N-(3-chloro-4-fluorophenyl)-N-hydroxy-2-(1H-imidazol-5-ylmethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 122704350
N-(3-chloro-4-fluorophenyl)-2-[3-[cyclopropyl(methyl)amino]propylamino]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 122704611
3-[[7-[N-(3-chloro-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1H-imidazo[4,5-b]pyridin-2-yl]amino]propylcarbamic acid
CID 122704237
N-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[hydroxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 122704493
N-(3-chloro-4-fluorophenyl)-N-hydroxy-2-(pyrrolidin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 139503041
N-(5-bromo-2,4-difluorophenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 122704363
N-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[2-(sulfamoylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 122704432
N-(3-but-1-ynyl-4-fluorophenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 122704437

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N-hydroxy-2-(methylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The IUPAC name of N-(3-bromophenyl)-N-hydroxy-2-(methylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide (CID 122704520) is N-(3-bromophenyl)-N-hydroxy-2-(methylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide.
What is the SMILES notation for N-(3-bromophenyl)-N-hydroxy-2-(methylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The canonical SMILES for N-(3-bromophenyl)-N-hydroxy-2-(methylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide is [H]/N=C(/c1ccnc2nc(NC)[nH]c12)N(O)c1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-N-hydroxy-2-(methylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The InChIKey is YKMBBVWIXQXBTO-VBKFSLOCSA-N. The full InChI is InChI=1S/C14H13BrN6O/c1-17-14-19-11-10(5-6-18-13(11)20-14)12(16)21(22)9-4-2-3-8(15)7-9/h2-7,16,22H,1H3,(H2,17,18,19,20)/b16-12-.
What are the key properties of N-(3-bromophenyl)-N-hydroxy-2-(methylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
N-(3-bromophenyl)-N-hydroxy-2-(methylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide has a molecular weight of 361.20 g/mol, XLogP of 2.98, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N-hydroxy-2-(methylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide is sourced from PubChem (CID 122704520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).