3-hydroxy-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]pyridine-4-carboxamide

C12H16N4O3 — CID 81442465

IUPAC3-hydroxy-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]pyridine-4-carboxamide
SMILESN/C(=N/O)C1CCCC1NC(=O)c1ccncc1O
InChIInChI=1S/C12H16N4O3/c13-11(16-19)7-2-1-3-9(7)15-12(18)8-4-5-14-6-10(8)17/h4-7,9,17,19H,1-3H2,(H2,13,16)(H,15,18)
InChIKeyXSOMRFGYDNYWHD-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.43
Rot. Bonds3

About 3-hydroxy-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]pyridine-4-carboxamide

3-hydroxy-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]pyridine-4-carboxamide (PubChem CID 81442465) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-hydroxy-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]pyridine-4-carboxamide
PubChem CID81442465
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name3-hydroxy-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]pyridine-4-carboxamide
SMILESN/C(=N/O)C1CCCC1NC(=O)c1ccncc1O
InChIInChI=1S/C12H16N4O3/c13-11(16-19)7-2-1-3-9(7)15-12(18)8-4-5-14-6-10(8)17/h4-7,9,17,19H,1-3H2,(H2,13,16)(H,15,18)
InChIKeyXSOMRFGYDNYWHD-UHFFFAOYSA-N
XLogP0.43
TPSA120.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-(2-carbamothioylcyclopentyl)-3-hydroxypyridine-4-carboxamide
CID 81446340
4-chloro-2-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978486
N-(2-ethylcyclohexyl)-3-hydroxypyridine-4-carboxamide
CID 81443584
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-iodobenzamide
CID 76978483
2,5-dichloro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978437
3-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylbenzamide
CID 76978373
2-bromo-4-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide
CID 107992475
2-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978574
N-cyclopentyloxy-3-hydroxypyridine-4-carboxamide
CID 83218037
N-(3-aminocyclobutyl)-3-hydroxypyridine-4-carboxamide
CID 81442624
3-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]thiophene-2-carboxamide
CID 80642399
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylfuran-2-carboxamide
CID 76978371

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]pyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]pyridine-4-carboxamide (CID 81442465) is 3-hydroxy-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]pyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]pyridine-4-carboxamide is N/C(=N/O)C1CCCC1NC(=O)c1ccncc1O.
What is the InChIKey of 3-hydroxy-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]pyridine-4-carboxamide?
The InChIKey is XSOMRFGYDNYWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-11(16-19)7-2-1-3-9(7)15-12(18)8-4-5-14-6-10(8)17/h4-7,9,17,19H,1-3H2,(H2,13,16)(H,15,18).
What are the key properties of 3-hydroxy-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]pyridine-4-carboxamide?
3-hydroxy-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]pyridine-4-carboxamide has a molecular weight of 264.28 g/mol, XLogP of 0.43, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]pyridine-4-carboxamide is sourced from PubChem (CID 81442465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).