4-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)benzamide

C14H14N4O2 — CID 107586259

IUPAC4-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)benzamide
SMILESCc1cncc(NC(=O)c2ccc(/C(N)=N/O)cc2)c1
InChIInChI=1S/C14H14N4O2/c1-9-6-12(8-16-7-9)17-14(19)11-4-2-10(3-5-11)13(15)18-20/h2-8,20H,1H3,(H2,15,18)(H,17,19)
InChIKeyXACSJNSTHNRQAI-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.74
Rot. Bonds3

About 4-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)benzamide

4-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)benzamide (PubChem CID 107586259) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)benzamide
PubChem CID107586259
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name4-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)benzamide
SMILESCc1cncc(NC(=O)c2ccc(/C(N)=N/O)cc2)c1
InChIInChI=1S/C14H14N4O2/c1-9-6-12(8-16-7-9)17-14(19)11-4-2-10(3-5-11)13(15)18-20/h2-8,20H,1H3,(H2,15,18)(H,17,19)
InChIKeyXACSJNSTHNRQAI-UHFFFAOYSA-N
XLogP1.74
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.74
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

4-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 110727246
4-hydrazinyl-N-(5-methyl-3-pyridinyl)benzamide
CID 107586745
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-5-methylpyridine-3-carboxamide
CID 77072600
4-[(Z)-N'-hydroxycarbamimidoyl]-N-pyridin-4-ylbenzamide
CID 58946084
2,3-dimethyl-N-(5-methyl-3-pyridinyl)quinoxaline-6-carboxamide
CID 110744358
5-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide
CID 104786337
N-(5-methyl-3-pyridinyl)-4-pyrrol-1-ylbenzamide
CID 110744355
4-fluoro-3-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 103738924
N-(3-chloro-4-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333029
2-amino-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 107586635
4-tert-butyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 2908825
5-(N'-hydroxycarbamimidoyl)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 77005091

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)benzamide?
The IUPAC name of 4-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)benzamide (CID 107586259) is 4-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 4-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 4-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)benzamide is Cc1cncc(NC(=O)c2ccc(/C(N)=N/O)cc2)c1.
What is the InChIKey of 4-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)benzamide?
The InChIKey is XACSJNSTHNRQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9-6-12(8-16-7-9)17-14(19)11-4-2-10(3-5-11)13(15)18-20/h2-8,20H,1H3,(H2,15,18)(H,17,19).
What are the key properties of 4-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)benzamide?
4-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)benzamide has a molecular weight of 270.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 107586259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).