5-(N'-hydroxycarbamimidoyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide

C15H22N4O2 — CID 77005098

IUPAC5-(N'-hydroxycarbamimidoyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide
SMILESCC1CCC(N(C)C(=O)c2ccc(C(N)=NO)cn2)CC1
InChIInChI=1S/C15H22N4O2/c1-10-3-6-12(7-4-10)19(2)15(20)13-8-5-11(9-17-13)14(16)18-21/h5,8-10,12,21H,3-4,6-7H2,1-2H3,(H2,16,18)
InChIKeyVHYLTWTYCDLOAM-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.83
Rot. Bonds3

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

5-(N'-hydroxycarbamimidoyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide (PubChem CID 77005098) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-(N'-hydroxycarbamimidoyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(N'-hydroxycarbamimidoyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide
PubChem CID77005098
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name5-(N'-hydroxycarbamimidoyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide
SMILESCC1CCC(N(C)C(=O)c2ccc(C(N)=NO)cn2)CC1
InChIInChI=1S/C15H22N4O2/c1-10-3-6-12(7-4-10)19(2)15(20)13-8-5-11(9-17-13)14(16)18-21/h5,8-10,12,21H,3-4,6-7H2,1-2H3,(H2,16,18)
InChIKeyVHYLTWTYCDLOAM-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
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

N-cycloheptyl-5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide
CID 77005127
5-[methyl-(4-methylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid
CID 60725247
2-N-cycloheptyl-2-N-methylpyridine-2,5-dicarboxamide
CID 51098301
N-(cyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)-N-propylpyridine-2-carboxamide
CID 77005162
6-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxypyridine-3-carboximidamide
CID 77005377
6-[cyclopropyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 43265005
5-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)pyridine-2-carboxamide
CID 77005250
6-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxypyridine-3-carboximidamide
CID 81465067
N-methyl-N-(4-methylcyclohexyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134026117
4-(N'-hydroxycarbamimidoyl)-N-methyl-N-(3-methylcyclohexyl)benzamide
CID 76904321
5-[(Z)-N'-hydroxycarbamimidoyl]-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 55228873
N'-hydroxy-6-(2-methylpyrrolidine-1-carbonyl)pyridine-3-carboximidamide
CID 77005324

Frequently Asked Questions

What is the IUPAC name of 5-(N'-hydroxycarbamimidoyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide?
The IUPAC name of 5-(N'-hydroxycarbamimidoyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide (CID 77005098) is 5-(N'-hydroxycarbamimidoyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(N'-hydroxycarbamimidoyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(N'-hydroxycarbamimidoyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide is CC1CCC(N(C)C(=O)c2ccc(C(N)=NO)cn2)CC1.
What is the InChIKey of 5-(N'-hydroxycarbamimidoyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide?
The InChIKey is VHYLTWTYCDLOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10-3-6-12(7-4-10)19(2)15(20)13-8-5-11(9-17-13)14(16)18-21/h5,8-10,12,21H,3-4,6-7H2,1-2H3,(H2,16,18).
What are the key properties of 5-(N'-hydroxycarbamimidoyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide?
5-(N'-hydroxycarbamimidoyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N'-hydroxycarbamimidoyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide is sourced from PubChem (CID 77005098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).