N-(3-bromo-2-methylphenyl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide

C14H13BrN4O2 — CID 107637319

IUPACN-(3-bromo-2-methylphenyl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide
SMILESCc1c(Br)cccc1NC(=O)c1ccc(/C(N)=N/O)cn1
InChIInChI=1S/C14H13BrN4O2/c1-8-10(15)3-2-4-11(8)18-14(20)12-6-5-9(7-17-12)13(16)19-21/h2-7,21H,1H3,(H2,16,19)(H,18,20)
InChIKeyVEUTXATZRFLNPA-UHFFFAOYSA-N
MW349.19 g/mol
LogP2.50
Rot. Bonds3

About N-(3-bromo-2-methylphenyl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide

N-(3-bromo-2-methylphenyl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide (PubChem CID 107637319) has the molecular formula C14H13BrN4O2 and a molecular weight of 349.19 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide
PubChem CID107637319
Molecular FormulaC14H13BrN4O2
Molecular Weight349.19 g/mol
Exact Mass348.02
IUPAC NameN-(3-bromo-2-methylphenyl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide
SMILESCc1c(Br)cccc1NC(=O)c1ccc(/C(N)=N/O)cn1
InChIInChI=1S/C14H13BrN4O2/c1-8-10(15)3-2-4-11(8)18-14(20)12-6-5-9(7-17-12)13(16)19-21/h2-7,21H,1H3,(H2,16,19)(H,18,20)
InChIKeyVEUTXATZRFLNPA-UHFFFAOYSA-N
XLogP2.50
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Related Compounds

N-(3-bromo-2-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 107637308
5-[(3-bromo-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 103644305
5-(N'-hydroxycarbamimidoyl)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 77005091
N-(3-chloro-2-fluorophenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005380
6-amino-N-(3-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 107630962
N-(2,4-dimethylphenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005087
5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide
CID 77005050
5-(N'-hydroxycarbamimidoyl)-N-phenylpyridine-2-carboxamide
CID 77005403
N-(3-bromo-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 113230237
5-(N'-hydroxycarbamimidoyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 77005260
[6-[(3-bromo-2-methylphenyl)carbamoyl]-3-pyridinyl]methyl-methylcarbamic acid
CID 174187051
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methylbutan-2-yl)pyridine-2-carboxamide
CID 55231173

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide?
The IUPAC name of N-(3-bromo-2-methylphenyl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide (CID 107637319) is N-(3-bromo-2-methylphenyl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide is Cc1c(Br)cccc1NC(=O)c1ccc(/C(N)=N/O)cn1.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide?
The InChIKey is VEUTXATZRFLNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O2/c1-8-10(15)3-2-4-11(8)18-14(20)12-6-5-9(7-17-12)13(16)19-21/h2-7,21H,1H3,(H2,16,19)(H,18,20).
What are the key properties of N-(3-bromo-2-methylphenyl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide?
N-(3-bromo-2-methylphenyl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide has a molecular weight of 349.19 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylphenyl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide is sourced from PubChem (CID 107637319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).