N-cycloheptyl-5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide

C15H22N4O2 — CID 77005127

IUPACN-cycloheptyl-5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(C(N)=NO)cn1)C1CCCCCC1
InChIInChI=1S/C15H22N4O2/c1-19(12-6-4-2-3-5-7-12)15(20)13-9-8-11(10-17-13)14(16)18-21/h8-10,12,21H,2-7H2,1H3,(H2,16,18)
InChIKeyNEODVACEGMBLLI-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.97
Rot. Bonds3

About N-cycloheptyl-5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide

N-cycloheptyl-5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide (PubChem CID 77005127) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-cycloheptyl-5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide
PubChem CID77005127
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-cycloheptyl-5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(C(N)=NO)cn1)C1CCCCCC1
InChIInChI=1S/C15H22N4O2/c1-19(12-6-4-2-3-5-7-12)15(20)13-9-8-11(10-17-13)14(16)18-21/h8-10,12,21H,2-7H2,1H3,(H2,16,18)
InChIKeyNEODVACEGMBLLI-UHFFFAOYSA-N
XLogP1.97
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
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-methyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 77005098
2-N-cycloheptyl-2-N-methylpyridine-2,5-dicarboxamide
CID 51098301
N-(cyclopentylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005094
N-(cyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)-N-propylpyridine-2-carboxamide
CID 77005162
N-(2-cyclopentylethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005261
5-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)pyridine-2-carboxamide
CID 77005250
5-[cyclopentyl(methyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136967271
4-(N'-hydroxycarbamimidoyl)-N-methyl-N-(3-methylcyclohexyl)benzamide
CID 76904321
N'-hydroxy-6-(2-methylpyrrolidine-1-carbonyl)pyridine-3-carboximidamide
CID 77005324
5-(N'-hydroxycarbamimidoyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
CID 77073182
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide
CID 105419929
6-[cyclopropyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 43265005

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of N-cycloheptyl-5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide (CID 77005127) is N-cycloheptyl-5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-cycloheptyl-5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide is CN(C(=O)c1ccc(C(N)=NO)cn1)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide?
The InChIKey is NEODVACEGMBLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-19(12-6-4-2-3-5-7-12)15(20)13-9-8-11(10-17-13)14(16)18-21/h8-10,12,21H,2-7H2,1H3,(H2,16,18).
What are the key properties of N-cycloheptyl-5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide?
N-cycloheptyl-5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 77005127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).