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

C25H36N6O2 — CID 123479846

IUPAC4-[[1-[4-[2-(dimethylamino)ethoxy]piperidine-1-carboximidoyl]-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILES[H]/N=C(\N1CCC(OCCN(C)C)CC1)n1cc(OC2CCC(N)c3ccccc32)cc/c1=N\[H]
InChIInChI=1S/C25H36N6O2/c1-29(2)15-16-32-18-11-13-30(14-12-18)25(28)31-17-19(7-10-24(31)27)33-23-9-8-22(26)20-5-3-4-6-21(20)23/h3-7,10,17-18,22-23,27-28H,8-9,11-16,26H2,1-2H3/b27-24+,28-25+
InChIKeySHRQMYFNCPCRAB-KNCIMYNLSA-N
MW452.60 g/mol
LogP2.71
Rot. Bonds6

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

4-[[1-[4-[2-(dimethylamino)ethoxy]piperidine-1-carboximidoyl]-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 123479846) has the molecular formula C25H36N6O2 and a molecular weight of 452.60 g/mol. Its IUPAC name is 4-[[1-[4-[2-(dimethylamino)ethoxy]piperidine-1-carboximidoyl]-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name4-[[1-[4-[2-(dimethylamino)ethoxy]piperidine-1-carboximidoyl]-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID123479846
Molecular FormulaC25H36N6O2
Molecular Weight452.60 g/mol
Exact Mass452.29
IUPAC Name4-[[1-[4-[2-(dimethylamino)ethoxy]piperidine-1-carboximidoyl]-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILES[H]/N=C(\N1CCC(OCCN(C)C)CC1)n1cc(OC2CCC(N)c3ccccc32)cc/c1=N\[H]
InChIInChI=1S/C25H36N6O2/c1-29(2)15-16-32-18-11-13-30(14-12-18)25(28)31-17-19(7-10-24(31)27)33-23-9-8-22(26)20-5-3-4-6-21(20)23/h3-7,10,17-18,22-23,27-28H,8-9,11-16,26H2,1-2H3/b27-24+,28-25+
InChIKeySHRQMYFNCPCRAB-KNCIMYNLSA-N
XLogP2.71
TPSA103.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 52.71
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'}

Analyze 4-[[1-[4-[2-(dimethylamino)ethoxy]piperidine-1-carboximidoyl]-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
5-[[(1R,4S)-4-[[[3-amino-1-[[(3E,5Z)-4-ethoxy-7-fluoroocta-3,5,7-trien-2-yl]amino]-4,4-dimethylpent-2-enylidene]amino]methylamino]-1,2,3,4-tetrahydronaphthalen-1-yl]oxymethyl]-N-hexyl-2-imino-N-methylpyridine-1-carboximidamide
CID 173738553
(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

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[4-[2-(dimethylamino)ethoxy]piperidine-1-carboximidoyl]-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 4-[[1-[4-[2-(dimethylamino)ethoxy]piperidine-1-carboximidoyl]-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 123479846) is 4-[[1-[4-[2-(dimethylamino)ethoxy]piperidine-1-carboximidoyl]-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 4-[[1-[4-[2-(dimethylamino)ethoxy]piperidine-1-carboximidoyl]-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 4-[[1-[4-[2-(dimethylamino)ethoxy]piperidine-1-carboximidoyl]-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine is [H]/N=C(\N1CCC(OCCN(C)C)CC1)n1cc(OC2CCC(N)c3ccccc32)cc/c1=N\[H].
What is the InChIKey of 4-[[1-[4-[2-(dimethylamino)ethoxy]piperidine-1-carboximidoyl]-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is SHRQMYFNCPCRAB-KNCIMYNLSA-N. The full InChI is InChI=1S/C25H36N6O2/c1-29(2)15-16-32-18-11-13-30(14-12-18)25(28)31-17-19(7-10-24(31)27)33-23-9-8-22(26)20-5-3-4-6-21(20)23/h3-7,10,17-18,22-23,27-28H,8-9,11-16,26H2,1-2H3/b27-24+,28-25+.
What are the key properties of 4-[[1-[4-[2-(dimethylamino)ethoxy]piperidine-1-carboximidoyl]-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
4-[[1-[4-[2-(dimethylamino)ethoxy]piperidine-1-carboximidoyl]-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 452.60 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[4-[2-(dimethylamino)ethoxy]piperidine-1-carboximidoyl]-6-imino-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 123479846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).