N-(4-ethylcyclohexyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide

C15H22N4O2 — CID 77005388

IUPACN-(4-ethylcyclohexyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
SMILESCCC1CCC(NC(=O)c2ccc(C(N)=NO)cn2)CC1
InChIInChI=1S/C15H22N4O2/c1-2-10-3-6-12(7-4-10)18-15(20)13-8-5-11(9-17-13)14(16)19-21/h5,8-10,12,21H,2-4,6-7H2,1H3,(H2,16,19)(H,18,20)
InChIKeyARIMSWSGDBAEIH-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.87
Rot. Bonds4

About N-(4-ethylcyclohexyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide

N-(4-ethylcyclohexyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide (PubChem CID 77005388) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
PubChem CID77005388
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-(4-ethylcyclohexyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
SMILESCCC1CCC(NC(=O)c2ccc(C(N)=NO)cn2)CC1
InChIInChI=1S/C15H22N4O2/c1-2-10-3-6-12(7-4-10)18-15(20)13-8-5-11(9-17-13)14(16)19-21/h5,8-10,12,21H,2-4,6-7H2,1H3,(H2,16,19)(H,18,20)
InChIKeyARIMSWSGDBAEIH-UHFFFAOYSA-N
XLogP1.87
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.87
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-(2-methylcyclohexyl)pyridine-2-carboxamide
CID 77005250
N-(2-cyclopentylethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005261
N-(cyclopentylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005094
5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
CID 62954357
5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide
CID 77005050
5-amino-N-(4-ethylcyclohexyl)pyrazine-2-carboxamide
CID 113381877
5-carbamothioyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 55229060
N-butan-2-yl-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 76951882
N-(dicyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005031
N-(cyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)-N-propylpyridine-2-carboxamide
CID 77005162
5-carbamothioyl-N-cyclopentylpyridine-2-carboxamide
CID 55230781
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 55229447

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide?
The IUPAC name of N-(4-ethylcyclohexyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide (CID 77005388) is N-(4-ethylcyclohexyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide is CCC1CCC(NC(=O)c2ccc(C(N)=NO)cn2)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide?
The InChIKey is ARIMSWSGDBAEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-10-3-6-12(7-4-10)18-15(20)13-8-5-11(9-17-13)14(16)19-21/h5,8-10,12,21H,2-4,6-7H2,1H3,(H2,16,19)(H,18,20).
What are the key properties of N-(4-ethylcyclohexyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide?
N-(4-ethylcyclohexyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide is sourced from PubChem (CID 77005388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).