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

C24H34N6O — CID 123352967

IUPAC4-[[6-imino-1-(1,2,3,4-tetramethylpiperazine-2-carboximidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILES[H]/N=C(\n1cc(OC2CCC(N)c3ccccc32)cc/c1=N\[H])C1(C)C(C)N(C)CCN1C
InChIInChI=1S/C24H34N6O/c1-16-24(2,29(4)14-13-28(16)3)23(27)30-15-17(9-12-22(30)26)31-21-11-10-20(25)18-7-5-6-8-19(18)21/h5-9,12,15-16,20-21,26-27H,10-11,13-14,25H2,1-4H3/b26-22+,27-23-
InChIKeyWZJJAAUZPXVQJF-FLPXOHCLSA-N
MW422.58 g/mol
LogP2.73
Rot. Bonds3

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

4-[[6-imino-1-(1,2,3,4-tetramethylpiperazine-2-carboximidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 123352967) has the molecular formula C24H34N6O and a molecular weight of 422.58 g/mol. Its IUPAC name is 4-[[6-imino-1-(1,2,3,4-tetramethylpiperazine-2-carboximidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name4-[[6-imino-1-(1,2,3,4-tetramethylpiperazine-2-carboximidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID123352967
Molecular FormulaC24H34N6O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC Name4-[[6-imino-1-(1,2,3,4-tetramethylpiperazine-2-carboximidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILES[H]/N=C(\n1cc(OC2CCC(N)c3ccccc32)cc/c1=N\[H])C1(C)C(C)N(C)CCN1C
InChIInChI=1S/C24H34N6O/c1-16-24(2,29(4)14-13-28(16)3)23(27)30-15-17(9-12-22(30)26)31-21-11-10-20(25)18-7-5-6-8-19(18)21/h5-9,12,15-16,20-21,26-27H,10-11,13-14,25H2,1-4H3/b26-22+,27-23-
InChIKeyWZJJAAUZPXVQJF-FLPXOHCLSA-N
XLogP2.73
TPSA94.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(1S,4R)-7-fluoro-4-[[6-imino-1-(2-methylpropanimidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 89624203
(1S,4R)-4-[[1-[(2S,4R)-4-fluoro-1-methylpyrrolidine-2-carboximidoyl]-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 89624885
7-Fluoro-4-[[6-imino-1-(2-methylpropanimidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 123458052
(1S,4R)-4-[[1-(cyclohexanecarboximidoyl)-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 89624101
(1S,4R)-4-[[6-imino-1-(2-methylpropanimidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 89624202
(1S)-4-[[6-imino-1-(pyrrolidine-1-carboximidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 89624775
(1S,4S)-4-[[6-imino-1-(1-methylpyrrolidine-2-carboximidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 89624813
(1S,4R)-4-[[6-imino-1-[(3S)-3-[tri(propan-2-yl)silyloxymethyl]pyrrolidine-1-carboximidoyl]-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 89624844
1-[5-[[(1R,4S)-4-amino-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-2-iminopyridine-1-carboximidoyl]-4-methylpiperidin-4-ol
CID 89624865
(1S,4R)-4-[[6-imino-1-[4-methyl-4-tri(propan-2-yl)silyloxypiperidine-1-carboximidoyl]-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 89624869
(1S,4R)-4-[[6-imino-1-[(2S)-1-methyl-2-[tri(propan-2-yl)silyloxymethyl]pyrrolidine-2-carboximidoyl]-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 89624871
tert-butyl 4-[2-[5-[[(1R,4S)-4-amino-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-2-imino-1-pyridinyl]-2-iminoethyl]piperidine-1-carboxylate
CID 89624874

Frequently Asked Questions

What is the IUPAC name of 4-[[6-imino-1-(1,2,3,4-tetramethylpiperazine-2-carboximidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 4-[[6-imino-1-(1,2,3,4-tetramethylpiperazine-2-carboximidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 123352967) is 4-[[6-imino-1-(1,2,3,4-tetramethylpiperazine-2-carboximidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 4-[[6-imino-1-(1,2,3,4-tetramethylpiperazine-2-carboximidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 4-[[6-imino-1-(1,2,3,4-tetramethylpiperazine-2-carboximidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine is [H]/N=C(\n1cc(OC2CCC(N)c3ccccc32)cc/c1=N\[H])C1(C)C(C)N(C)CCN1C.
What is the InChIKey of 4-[[6-imino-1-(1,2,3,4-tetramethylpiperazine-2-carboximidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is WZJJAAUZPXVQJF-FLPXOHCLSA-N. The full InChI is InChI=1S/C24H34N6O/c1-16-24(2,29(4)14-13-28(16)3)23(27)30-15-17(9-12-22(30)26)31-21-11-10-20(25)18-7-5-6-8-19(18)21/h5-9,12,15-16,20-21,26-27H,10-11,13-14,25H2,1-4H3/b26-22+,27-23-.
What are the key properties of 4-[[6-imino-1-(1,2,3,4-tetramethylpiperazine-2-carboximidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
4-[[6-imino-1-(1,2,3,4-tetramethylpiperazine-2-carboximidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 422.58 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-imino-1-(1,2,3,4-tetramethylpiperazine-2-carboximidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 123352967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).