4-[[1-(2,6-dimethylpiperidine-1-carboximidoyl)-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine

C23H31N5O — CID 123311213

IUPAC4-[[1-(2,6-dimethylpiperidine-1-carboximidoyl)-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILES[H]/N=C(\N1C(C)CCCC1C)n1cc(OC2CCC(N)c3ccccc32)cc/c1=N\[H]
InChIInChI=1S/C23H31N5O/c1-15-6-5-7-16(2)28(15)23(26)27-14-17(10-13-22(27)25)29-21-12-11-20(24)18-8-3-4-9-19(18)21/h3-4,8-10,13-16,20-21,25-26H,5-7,11-12,24H2,1-2H3/b25-22+,26-23-
InChIKeyMFWVAQMYPLPACD-TWAHKZCISA-N
MW393.54 g/mol
LogP3.93
Rot. Bonds2

About 4-[[1-(2,6-dimethylpiperidine-1-carboximidoyl)-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine

4-[[1-(2,6-dimethylpiperidine-1-carboximidoyl)-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 123311213) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is 4-[[1-(2,6-dimethylpiperidine-1-carboximidoyl)-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name4-[[1-(2,6-dimethylpiperidine-1-carboximidoyl)-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID123311213
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name4-[[1-(2,6-dimethylpiperidine-1-carboximidoyl)-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILES[H]/N=C(\N1C(C)CCCC1C)n1cc(OC2CCC(N)c3ccccc32)cc/c1=N\[H]
InChIInChI=1S/C23H31N5O/c1-15-6-5-7-16(2)28(15)23(26)27-14-17(10-13-22(27)25)29-21-12-11-20(24)18-8-3-4-9-19(18)21/h3-4,8-10,13-16,20-21,25-26H,5-7,11-12,24H2,1-2H3/b25-22+,26-23-
InChIKeyMFWVAQMYPLPACD-TWAHKZCISA-N
XLogP3.93
TPSA91.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 53.93
H-Bond Donors ≤ 53
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 4-[[1-(2,6-dimethylpiperidine-1-carboximidoyl)-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 4-[[1-(2,6-dimethylpiperidine-1-carboximidoyl)-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 123311213) is 4-[[1-(2,6-dimethylpiperidine-1-carboximidoyl)-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 4-[[1-(2,6-dimethylpiperidine-1-carboximidoyl)-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 4-[[1-(2,6-dimethylpiperidine-1-carboximidoyl)-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine is [H]/N=C(\N1C(C)CCCC1C)n1cc(OC2CCC(N)c3ccccc32)cc/c1=N\[H].
What is the InChIKey of 4-[[1-(2,6-dimethylpiperidine-1-carboximidoyl)-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is MFWVAQMYPLPACD-TWAHKZCISA-N. The full InChI is InChI=1S/C23H31N5O/c1-15-6-5-7-16(2)28(15)23(26)27-14-17(10-13-22(27)25)29-21-12-11-20(24)18-8-3-4-9-19(18)21/h3-4,8-10,13-16,20-21,25-26H,5-7,11-12,24H2,1-2H3/b25-22+,26-23-.
What are the key properties of 4-[[1-(2,6-dimethylpiperidine-1-carboximidoyl)-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
4-[[1-(2,6-dimethylpiperidine-1-carboximidoyl)-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 393.54 g/mol, XLogP of 3.93, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,6-dimethylpiperidine-1-carboximidoyl)-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 123311213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).