N-(2-cyclopentylethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide

C14H20N4O2 — CID 77005261

IUPACN-(2-cyclopentylethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
SMILESNC(=NO)c1ccc(C(=O)NCCC2CCCC2)nc1
InChIInChI=1S/C14H20N4O2/c15-13(18-20)11-5-6-12(17-9-11)14(19)16-8-7-10-3-1-2-4-10/h5-6,9-10,20H,1-4,7-8H2,(H2,15,18)(H,16,19)
InChIKeyJJRMXOGWGWXOCF-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.49
Rot. Bonds5

About N-(2-cyclopentylethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide

N-(2-cyclopentylethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide (PubChem CID 77005261) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
PubChem CID77005261
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-(2-cyclopentylethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
SMILESNC(=NO)c1ccc(C(=O)NCCC2CCCC2)nc1
InChIInChI=1S/C14H20N4O2/c15-13(18-20)11-5-6-12(17-9-11)14(19)16-8-7-10-3-1-2-4-10/h5-6,9-10,20H,1-4,7-8H2,(H2,15,18)(H,16,19)
InChIKeyJJRMXOGWGWXOCF-UHFFFAOYSA-N
XLogP1.49
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.49
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

N-(cyclopentylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005094
5-carbamothioyl-N-(2-cyclopentylethyl)pyridine-2-carboxamide
CID 55230785
N-(2-cyclohexylethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 60916634
5-(N'-hydroxycarbamimidoyl)-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 77005035
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 55229447
N-(4-ethylcyclohexyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005388
N-[(1,1-dioxothiolan-2-yl)methyl]-5-[(E)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide
CID 81042571
5-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)pyridine-2-carboxamide
CID 77005250
6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 114516523
5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)pyridine-2-carboxamide
CID 62953666
5-amino-N-(3-cyclopentylpropyl)pyridine-2-carboxamide
CID 106006309
N-(dicyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005031

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-cyclopentylethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide (CID 77005261) is N-(2-cyclopentylethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-cyclopentylethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-cyclopentylethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide is NC(=NO)c1ccc(C(=O)NCCC2CCCC2)nc1.
What is the InChIKey of N-(2-cyclopentylethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide?
The InChIKey is JJRMXOGWGWXOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c15-13(18-20)11-5-6-12(17-9-11)14(19)16-8-7-10-3-1-2-4-10/h5-6,9-10,20H,1-4,7-8H2,(H2,15,18)(H,16,19).
What are the key properties of N-(2-cyclopentylethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide?
N-(2-cyclopentylethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide is sourced from PubChem (CID 77005261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).