[5-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]carbamic acid

C7H8N4O3 — CID 135183930

IUPAC[5-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]carbamic acid
SMILESN/C(=N/O)c1ccc(NC(=O)O)nc1
InChIInChI=1S/C7H8N4O3/c8-6(11-14)4-1-2-5(9-3-4)10-7(12)13/h1-3,14H,(H2,8,11)(H,9,10)(H,12,13)
InChIKeyLPZQRJJUHGMYKG-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.27
Rot. Bonds2

About [5-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]carbamic acid

[5-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]carbamic acid (PubChem CID 135183930) has the molecular formula C7H8N4O3 and a molecular weight of 196.17 g/mol. Its IUPAC name is [5-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[5-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]carbamic acid
PubChem CID135183930
Molecular FormulaC7H8N4O3
Molecular Weight196.17 g/mol
Exact Mass196.06
IUPAC Name[5-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]carbamic acid
SMILESN/C(=N/O)c1ccc(NC(=O)O)nc1
InChIInChI=1S/C7H8N4O3/c8-6(11-14)4-1-2-5(9-3-4)10-7(12)13/h1-3,14H,(H2,8,11)(H,9,10)(H,12,13)
InChIKeyLPZQRJJUHGMYKG-UHFFFAOYSA-N
XLogP0.27
TPSA120.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.27
H-Bond Donors ≤ 54
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-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]benzamide
CID 74018813
2-chloro-N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]acetamide
CID 74401488
methyl 4-[[5-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]amino]-4-oxobutanoate
CID 131735591
5-(N'-hydroxycarbamimidoyl)-N-phenylpyridine-2-carboxamide
CID 77005403
5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide
CID 77005050
N'-hydroxy-6-(pyridin-3-ylamino)pyridine-3-carboximidamide
CID 159911206
2-[[4-[(E)-N'-hydroxycarbamimidoyl]benzoyl]amino]-3,5-dimethyl-N-(5-methyl-2-pyridinyl)benzamide
CID 142051419
N-(2,4-dimethylphenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005087
5-(N'-hydroxycarbamimidoyl)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 77005091
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(E)-N'-hydroxycarbamimidoyl]benzoyl]amino]benzamide
CID 18727842
N-(3-bromo-2-methylphenyl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide
CID 107637319
(5-phenyl-2-pyridinyl)carbamic acid
CID 69225879

Frequently Asked Questions

What is the IUPAC name of [5-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]carbamic acid?
The IUPAC name of [5-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]carbamic acid (CID 135183930) is [5-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]carbamic acid.
What is the SMILES notation for [5-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]carbamic acid?
The canonical SMILES for [5-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]carbamic acid is N/C(=N/O)c1ccc(NC(=O)O)nc1.
What is the InChIKey of [5-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]carbamic acid?
The InChIKey is LPZQRJJUHGMYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O3/c8-6(11-14)4-1-2-5(9-3-4)10-7(12)13/h1-3,14H,(H2,8,11)(H,9,10)(H,12,13).
What are the key properties of [5-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]carbamic acid?
[5-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]carbamic acid has a molecular weight of 196.17 g/mol, XLogP of 0.27, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]carbamic acid is sourced from PubChem (CID 135183930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).