3-[2-[(1S)-6-(N-methylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridazine-4-carboxylic acid

C24H25N3O2 — CID 152914435

IUPAC3-[2-[(1S)-6-(N-methylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridazine-4-carboxylic acid
SMILESCN(c1ccccc1)c1ccc2c(c1)CCC[C@H]2CCc1nnccc1C(=O)O
InChIInChI=1S/C24H25N3O2/c1-27(19-8-3-2-4-9-19)20-11-12-21-17(6-5-7-18(21)16-20)10-13-23-22(24(28)29)14-15-25-26-23/h2-4,8-9,11-12,14-17H,5-7,10,13H2,1H3,(H,28,29)/t17-/m0/s1
InChIKeyUHVMKRMLKSVEMR-KRWDZBQOSA-N
MW387.48 g/mol
LogP5.00
Rot. Bonds6

About 3-[2-[(1S)-6-(N-methylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridazine-4-carboxylic acid

3-[2-[(1S)-6-(N-methylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridazine-4-carboxylic acid (PubChem CID 152914435) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-[2-[(1S)-6-(N-methylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-[(1S)-6-(N-methylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridazine-4-carboxylic acid
PubChem CID152914435
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name3-[2-[(1S)-6-(N-methylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridazine-4-carboxylic acid
SMILESCN(c1ccccc1)c1ccc2c(c1)CCC[C@H]2CCc1nnccc1C(=O)O
InChIInChI=1S/C24H25N3O2/c1-27(19-8-3-2-4-9-19)20-11-12-21-17(6-5-7-18(21)16-20)10-13-23-22(24(28)29)14-15-25-26-23/h2-4,8-9,11-12,14-17H,5-7,10,13H2,1H3,(H,28,29)/t17-/m0/s1
InChIKeyUHVMKRMLKSVEMR-KRWDZBQOSA-N
XLogP5.00
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-[(1S)-6-(N-methylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridazine-4-carboxylic acid with MolForge

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Related Compounds

3-[2-[(1S)-6-(4-hydroxy-N-methylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
CID 147871639
3-[2-[(1S)-6-(3-fluoro-N-methylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
CID 147742765
3-[2-[(1S)-6-(N-ethylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
CID 146717869
3-[2-[(1S)-6-[1-benzofuran-6-yl(methyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
CID 147011700
3-[[(1R)-5-(N-methylanilino)-2,3-dihydro-1H-inden-1-yl]methylamino]pyridine-4-carboxylic acid
CID 118597580
methyl 3-[2-[(1S)-6-(N-methyl-4-pyrrolidin-1-ylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylate
CID 146968711
3-[2-[7-(N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid
CID 159355880
3-[[(1R)-6-[(6-methoxy-3-pyridinyl)-methylamino]-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid
CID 118597921
3-[[(1R)-6-(dimethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid
CID 118606594
N,5-dimethyl-N-phenyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 155323115
methyl 3-[2-[(1S)-6-[methyl-(5-methylpyrimidin-2-yl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylate
CID 153237233
3-[[(1R)-5-(N,3-dimethylanilino)-2,3-dihydro-1H-inden-1-yl]methylamino]pyridine-4-carboxylic acid
CID 118598154

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1S)-6-(N-methylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[2-[(1S)-6-(N-methylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridazine-4-carboxylic acid (CID 152914435) is 3-[2-[(1S)-6-(N-methylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[2-[(1S)-6-(N-methylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[2-[(1S)-6-(N-methylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridazine-4-carboxylic acid is CN(c1ccccc1)c1ccc2c(c1)CCC[C@H]2CCc1nnccc1C(=O)O.
What is the InChIKey of 3-[2-[(1S)-6-(N-methylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridazine-4-carboxylic acid?
The InChIKey is UHVMKRMLKSVEMR-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-27(19-8-3-2-4-9-19)20-11-12-21-17(6-5-7-18(21)16-20)10-13-23-22(24(28)29)14-15-25-26-23/h2-4,8-9,11-12,14-17H,5-7,10,13H2,1H3,(H,28,29)/t17-/m0/s1.
What are the key properties of 3-[2-[(1S)-6-(N-methylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridazine-4-carboxylic acid?
3-[2-[(1S)-6-(N-methylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridazine-4-carboxylic acid has a molecular weight of 387.48 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1S)-6-(N-methylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridazine-4-carboxylic acid is sourced from PubChem (CID 152914435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).