2-chloro-N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]acetamide

C8H9ClN4O2 — CID 74401488

IUPAC2-chloro-N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]acetamide
SMILESNC(=NO)c1ccc(NC(=O)CCl)nc1
InChIInChI=1S/C8H9ClN4O2/c9-3-7(14)12-6-2-1-5(4-11-6)8(10)13-15/h1-2,4,15H,3H2,(H2,10,13)(H,11,12,14)
InChIKeyHLXMZXGVMXLJPN-UHFFFAOYSA-N
MW228.64 g/mol
LogP0.35
Rot. Bonds3

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

2-chloro-N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]acetamide (PubChem CID 74401488) has the molecular formula C8H9ClN4O2 and a molecular weight of 228.64 g/mol. Its IUPAC name is 2-chloro-N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]acetamide
PubChem CID74401488
Molecular FormulaC8H9ClN4O2
Molecular Weight228.64 g/mol
Exact Mass228.04
IUPAC Name2-chloro-N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]acetamide
SMILESNC(=NO)c1ccc(NC(=O)CCl)nc1
InChIInChI=1S/C8H9ClN4O2/c9-3-7(14)12-6-2-1-5(4-11-6)8(10)13-15/h1-2,4,15H,3H2,(H2,10,13)(H,11,12,14)
InChIKeyHLXMZXGVMXLJPN-UHFFFAOYSA-N
XLogP0.35
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.64
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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
methyl 4-[[5-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]amino]-4-oxobutanoate
CID 131735591
N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]benzamide
CID 74018813
5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide
CID 77005050
5-(N'-hydroxycarbamimidoyl)-N-phenylpyridine-2-carboxamide
CID 77005403
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 55229447
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(E)-N'-hydroxycarbamimidoyl]benzoyl]amino]benzamide
CID 18727842
N-butan-2-yl-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 76951882
N'-hydroxy-6-(pyridin-3-ylamino)pyridine-3-carboximidamide
CID 159911206
N-(2-cyclopentylethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005261
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(4-methylpentan-2-yl)pyridine-2-carboxamide
CID 55229065
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methylbutan-2-yl)pyridine-2-carboxamide
CID 55231173

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-chloro-N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]acetamide (CID 74401488) is 2-chloro-N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-chloro-N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-chloro-N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]acetamide is NC(=NO)c1ccc(NC(=O)CCl)nc1.
What is the InChIKey of 2-chloro-N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]acetamide?
The InChIKey is HLXMZXGVMXLJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O2/c9-3-7(14)12-6-2-1-5(4-11-6)8(10)13-15/h1-2,4,15H,3H2,(H2,10,13)(H,11,12,14).
What are the key properties of 2-chloro-N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]acetamide?
2-chloro-N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]acetamide has a molecular weight of 228.64 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 74401488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).