1-(cyclohexanecarboximidoyl)-2-imino-5-methoxypyridine-4-carbonitrile

C14H18N4O — CID 168894015

IUPAC1-(cyclohexanecarboximidoyl)-2-imino-5-methoxypyridine-4-carbonitrile
SMILES[H]/N=C(\C1CCCCC1)n1cc(OC)c(C#N)c/c1=N\[H]
InChIInChI=1S/C14H18N4O/c1-19-12-9-18(13(16)7-11(12)8-15)14(17)10-5-3-2-4-6-10/h7,9-10,16-17H,2-6H2,1H3/b16-13+,17-14+
InChIKeyKXAHBLKXSBETEZ-DISAMGIASA-N
MW258.32 g/mol
LogP2.25
Rot. Bonds2

About 1-(cyclohexanecarboximidoyl)-2-imino-5-methoxypyridine-4-carbonitrile

1-(cyclohexanecarboximidoyl)-2-imino-5-methoxypyridine-4-carbonitrile (PubChem CID 168894015) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(cyclohexanecarboximidoyl)-2-imino-5-methoxypyridine-4-carbonitrile.

Molecular Properties

Compound Name1-(cyclohexanecarboximidoyl)-2-imino-5-methoxypyridine-4-carbonitrile
PubChem CID168894015
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-(cyclohexanecarboximidoyl)-2-imino-5-methoxypyridine-4-carbonitrile
SMILES[H]/N=C(\C1CCCCC1)n1cc(OC)c(C#N)c/c1=N\[H]
InChIInChI=1S/C14H18N4O/c1-19-12-9-18(13(16)7-11(12)8-15)14(17)10-5-3-2-4-6-10/h7,9-10,16-17H,2-6H2,1H3/b16-13+,17-14+
InChIKeyKXAHBLKXSBETEZ-DISAMGIASA-N
XLogP2.25
TPSA85.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1-(cyclohexanecarboximidoyl)-2-imino-5-methoxypyridine-4-carbonitrile?
The IUPAC name of 1-(cyclohexanecarboximidoyl)-2-imino-5-methoxypyridine-4-carbonitrile (CID 168894015) is 1-(cyclohexanecarboximidoyl)-2-imino-5-methoxypyridine-4-carbonitrile.
What is the SMILES notation for 1-(cyclohexanecarboximidoyl)-2-imino-5-methoxypyridine-4-carbonitrile?
The canonical SMILES for 1-(cyclohexanecarboximidoyl)-2-imino-5-methoxypyridine-4-carbonitrile is [H]/N=C(\C1CCCCC1)n1cc(OC)c(C#N)c/c1=N\[H].
What is the InChIKey of 1-(cyclohexanecarboximidoyl)-2-imino-5-methoxypyridine-4-carbonitrile?
The InChIKey is KXAHBLKXSBETEZ-DISAMGIASA-N. The full InChI is InChI=1S/C14H18N4O/c1-19-12-9-18(13(16)7-11(12)8-15)14(17)10-5-3-2-4-6-10/h7,9-10,16-17H,2-6H2,1H3/b16-13+,17-14+.
What are the key properties of 1-(cyclohexanecarboximidoyl)-2-imino-5-methoxypyridine-4-carbonitrile?
1-(cyclohexanecarboximidoyl)-2-imino-5-methoxypyridine-4-carbonitrile has a molecular weight of 258.32 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarboximidoyl)-2-imino-5-methoxypyridine-4-carbonitrile is sourced from PubChem (CID 168894015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).