N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]benzamide

C13H12N4O2 — CID 74018813

IUPACN-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]benzamide
SMILESNC(=NO)c1ccc(NC(=O)c2ccccc2)nc1
InChIInChI=1S/C13H12N4O2/c14-12(17-19)10-6-7-11(15-8-10)16-13(18)9-4-2-1-3-5-9/h1-8,19H,(H2,14,17)(H,15,16,18)
InChIKeyINKVBYOZEUEEGD-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.43
Rot. Bonds3

About N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]benzamide

N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]benzamide (PubChem CID 74018813) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]benzamide
PubChem CID74018813
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC NameN-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]benzamide
SMILESNC(=NO)c1ccc(NC(=O)c2ccccc2)nc1
InChIInChI=1S/C13H12N4O2/c14-12(17-19)10-6-7-11(15-8-10)16-13(18)9-4-2-1-3-5-9/h1-8,19H,(H2,14,17)(H,15,16,18)
InChIKeyINKVBYOZEUEEGD-UHFFFAOYSA-N
XLogP1.43
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.43
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-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]carbamic acid
CID 135183930
2-chloro-N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]acetamide
CID 74401488
5-(N'-hydroxycarbamimidoyl)-N-phenylpyridine-2-carboxamide
CID 77005403
N-(5-amino-2-pyridinyl)benzamide;methane
CID 158297207
ethane;methyl 6-benzamidopyridine-3-carboxylate
CID 91195390
methyl 4-[[5-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]amino]-4-oxobutanoate
CID 131735591
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(E)-N'-hydroxycarbamimidoyl]benzoyl]amino]benzamide
CID 18727842
N-(5-formyl-2-pyridinyl)benzamide
CID 159048742
2-[[4-[(E)-N'-hydroxycarbamimidoyl]benzoyl]amino]-3,5-dimethyl-N-(5-methyl-2-pyridinyl)benzamide
CID 142051419
N-(5-propan-2-yl-2-pyridinyl)benzamide
CID 170385560
N-(5-cyano-2-pyridinyl)benzamide
CID 23072953
6-[(2-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 61317349

Frequently Asked Questions

What is the IUPAC name of N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]benzamide?
The IUPAC name of N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]benzamide (CID 74018813) is N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]benzamide is NC(=NO)c1ccc(NC(=O)c2ccccc2)nc1.
What is the InChIKey of N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]benzamide?
The InChIKey is INKVBYOZEUEEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c14-12(17-19)10-6-7-11(15-8-10)16-13(18)9-4-2-1-3-5-9/h1-8,19H,(H2,14,17)(H,15,16,18).
What are the key properties of N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]benzamide?
N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]benzamide has a molecular weight of 256.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 74018813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).