N-(2,4-dimethylphenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide

C15H16N4O2 — CID 77005087

IUPACN-(2,4-dimethylphenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(N)=NO)cn2)c(C)c1
InChIInChI=1S/C15H16N4O2/c1-9-3-5-12(10(2)7-9)18-15(20)13-6-4-11(8-17-13)14(16)19-21/h3-8,21H,1-2H3,(H2,16,19)(H,18,20)
InChIKeyDAUBBUVALUBUDM-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.05
Rot. Bonds3

About N-(2,4-dimethylphenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide

N-(2,4-dimethylphenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide (PubChem CID 77005087) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
PubChem CID77005087
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-(2,4-dimethylphenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(N)=NO)cn2)c(C)c1
InChIInChI=1S/C15H16N4O2/c1-9-3-5-12(10(2)7-9)18-15(20)13-6-4-11(8-17-13)14(16)19-21/h3-8,21H,1-2H3,(H2,16,19)(H,18,20)
InChIKeyDAUBBUVALUBUDM-UHFFFAOYSA-N
XLogP2.05
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.05
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

5-(N'-hydroxycarbamimidoyl)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 77005091
5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide
CID 77005050
N-(3-bromo-2-methylphenyl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide
CID 107637319
5-(N'-hydroxycarbamimidoyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 77005260
N-(4-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333226
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methylbutan-2-yl)pyridine-2-carboxamide
CID 55231173
5-carbamothioyl-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 63723402
5-(N'-hydroxycarbamimidoyl)-N-phenylpyridine-2-carboxamide
CID 77005403
N-(2,4-dimethylphenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104639949
N-(3-chloro-2-fluorophenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005380
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427229

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide (CID 77005087) is N-(2,4-dimethylphenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2ccc(C(N)=NO)cn2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide?
The InChIKey is DAUBBUVALUBUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9-3-5-12(10(2)7-9)18-15(20)13-6-4-11(8-17-13)14(16)19-21/h3-8,21H,1-2H3,(H2,16,19)(H,18,20).
What are the key properties of N-(2,4-dimethylphenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide?
N-(2,4-dimethylphenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide is sourced from PubChem (CID 77005087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).