5-(N'-hydroxycarbamimidoyl)-N-phenylpyridine-2-carboxamide

C13H12N4O2 — CID 77005403

IUPAC5-(N'-hydroxycarbamimidoyl)-N-phenylpyridine-2-carboxamide
SMILESNC(=NO)c1ccc(C(=O)Nc2ccccc2)nc1
InChIInChI=1S/C13H12N4O2/c14-12(17-19)9-6-7-11(15-8-9)13(18)16-10-4-2-1-3-5-10/h1-8,19H,(H2,14,17)(H,16,18)
InChIKeyUYEYDYPBWHRAQP-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.43
Rot. Bonds3

About 5-(N'-hydroxycarbamimidoyl)-N-phenylpyridine-2-carboxamide

5-(N'-hydroxycarbamimidoyl)-N-phenylpyridine-2-carboxamide (PubChem CID 77005403) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 5-(N'-hydroxycarbamimidoyl)-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(N'-hydroxycarbamimidoyl)-N-phenylpyridine-2-carboxamide
PubChem CID77005403
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC Name5-(N'-hydroxycarbamimidoyl)-N-phenylpyridine-2-carboxamide
SMILESNC(=NO)c1ccc(C(=O)Nc2ccccc2)nc1
InChIInChI=1S/C13H12N4O2/c14-12(17-19)9-6-7-11(15-8-9)13(18)16-10-4-2-1-3-5-10/h1-8,19H,(H2,14,17)(H,16,18)
InChIKeyUYEYDYPBWHRAQP-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-(N'-hydroxycarbamimidoyl)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 77005091
5-carbamothioyl-N-phenylpyridine-2-carboxamide
CID 63723576
5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide
CID 77005050
N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]benzamide
CID 74018813
N-(dicyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005031
N-(3-chloro-2-fluorophenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005380
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methylbutan-2-yl)pyridine-2-carboxamide
CID 55231173
N-(3-bromo-2-methylphenyl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide
CID 107637319
5-hydrazinyl-N-phenylpyridine-2-carboxamide
CID 104642260
N-(2,4-dimethylphenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005087
N-butan-2-yl-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 76951882
[5-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]carbamic acid
CID 135183930

Frequently Asked Questions

What is the IUPAC name of 5-(N'-hydroxycarbamimidoyl)-N-phenylpyridine-2-carboxamide?
The IUPAC name of 5-(N'-hydroxycarbamimidoyl)-N-phenylpyridine-2-carboxamide (CID 77005403) is 5-(N'-hydroxycarbamimidoyl)-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 5-(N'-hydroxycarbamimidoyl)-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 5-(N'-hydroxycarbamimidoyl)-N-phenylpyridine-2-carboxamide is NC(=NO)c1ccc(C(=O)Nc2ccccc2)nc1.
What is the InChIKey of 5-(N'-hydroxycarbamimidoyl)-N-phenylpyridine-2-carboxamide?
The InChIKey is UYEYDYPBWHRAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c14-12(17-19)9-6-7-11(15-8-9)13(18)16-10-4-2-1-3-5-10/h1-8,19H,(H2,14,17)(H,16,18).
What are the key properties of 5-(N'-hydroxycarbamimidoyl)-N-phenylpyridine-2-carboxamide?
5-(N'-hydroxycarbamimidoyl)-N-phenylpyridine-2-carboxamide 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 5-(N'-hydroxycarbamimidoyl)-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 77005403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).