5-cyclopropyl-2-imino-4-[(1-methylcyclohexyl)methoxy]pyridine-1-carboximidamide

C17H26N4O — CID 144721601

IUPAC5-cyclopropyl-2-imino-4-[(1-methylcyclohexyl)methoxy]pyridine-1-carboximidamide
SMILES[H]/N=C(\N)n1cc(C2CC2)c(OCC2(C)CCCCC2)c/c1=N\[H]
InChIInChI=1S/C17H26N4O/c1-17(7-3-2-4-8-17)11-22-14-9-15(18)21(16(19)20)10-13(14)12-5-6-12/h9-10,12,18H,2-8,11H2,1H3,(H3,19,20)/b18-15+
InChIKeyRSJMRNABDZJFIG-OBGWFSINSA-N
MW302.42 g/mol
LogP2.94
Rot. Bonds4

About 5-cyclopropyl-2-imino-4-[(1-methylcyclohexyl)methoxy]pyridine-1-carboximidamide

5-cyclopropyl-2-imino-4-[(1-methylcyclohexyl)methoxy]pyridine-1-carboximidamide (PubChem CID 144721601) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 5-cyclopropyl-2-imino-4-[(1-methylcyclohexyl)methoxy]pyridine-1-carboximidamide.

Molecular Properties

Compound Name5-cyclopropyl-2-imino-4-[(1-methylcyclohexyl)methoxy]pyridine-1-carboximidamide
PubChem CID144721601
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name5-cyclopropyl-2-imino-4-[(1-methylcyclohexyl)methoxy]pyridine-1-carboximidamide
SMILES[H]/N=C(\N)n1cc(C2CC2)c(OCC2(C)CCCCC2)c/c1=N\[H]
InChIInChI=1S/C17H26N4O/c1-17(7-3-2-4-8-17)11-22-14-9-15(18)21(16(19)20)10-13(14)12-5-6-12/h9-10,12,18H,2-8,11H2,1H3,(H3,19,20)/b18-15+
InChIKeyRSJMRNABDZJFIG-OBGWFSINSA-N
XLogP2.94
TPSA87.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.94
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-imino-4-[(1-methylcyclohexyl)methoxy]pyridine-1-carboximidamide?
The IUPAC name of 5-cyclopropyl-2-imino-4-[(1-methylcyclohexyl)methoxy]pyridine-1-carboximidamide (CID 144721601) is 5-cyclopropyl-2-imino-4-[(1-methylcyclohexyl)methoxy]pyridine-1-carboximidamide.
What is the SMILES notation for 5-cyclopropyl-2-imino-4-[(1-methylcyclohexyl)methoxy]pyridine-1-carboximidamide?
The canonical SMILES for 5-cyclopropyl-2-imino-4-[(1-methylcyclohexyl)methoxy]pyridine-1-carboximidamide is [H]/N=C(\N)n1cc(C2CC2)c(OCC2(C)CCCCC2)c/c1=N\[H].
What is the InChIKey of 5-cyclopropyl-2-imino-4-[(1-methylcyclohexyl)methoxy]pyridine-1-carboximidamide?
The InChIKey is RSJMRNABDZJFIG-OBGWFSINSA-N. The full InChI is InChI=1S/C17H26N4O/c1-17(7-3-2-4-8-17)11-22-14-9-15(18)21(16(19)20)10-13(14)12-5-6-12/h9-10,12,18H,2-8,11H2,1H3,(H3,19,20)/b18-15+.
What are the key properties of 5-cyclopropyl-2-imino-4-[(1-methylcyclohexyl)methoxy]pyridine-1-carboximidamide?
5-cyclopropyl-2-imino-4-[(1-methylcyclohexyl)methoxy]pyridine-1-carboximidamide has a molecular weight of 302.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-imino-4-[(1-methylcyclohexyl)methoxy]pyridine-1-carboximidamide is sourced from PubChem (CID 144721601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).