N-(4-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine;3-(methylamino)pyridine-4-carboxylic acid

C26H31N3O3 — CID 144987131

IUPACN-(4-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine;3-(methylamino)pyridine-4-carboxylic acid
SMILESCCOc1ccc(N(C)c2ccc3c(c2)CCCC3)cc1.CNc1cnccc1C(=O)O
InChIInChI=1S/C19H23NO.C7H8N2O2/c1-3-21-19-12-10-17(11-13-19)20(2)18-9-8-15-6-4-5-7-16(15)14-18;1-8-6-4-9-3-2-5(6)7(10)11/h8-14H,3-7H2,1-2H3;2-4,8H,1H3,(H,10,11)
InChIKeyZTWVIDIQGXSMKC-UHFFFAOYSA-N
MW433.55 g/mol
LogP5.55
Rot. Bonds6

About N-(4-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine;3-(methylamino)pyridine-4-carboxylic acid

N-(4-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine;3-(methylamino)pyridine-4-carboxylic acid (PubChem CID 144987131) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine;3-(methylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine;3-(methylamino)pyridine-4-carboxylic acid
PubChem CID144987131
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC NameN-(4-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine;3-(methylamino)pyridine-4-carboxylic acid
SMILESCCOc1ccc(N(C)c2ccc3c(c2)CCCC3)cc1.CNc1cnccc1C(=O)O
InChIInChI=1S/C19H23NO.C7H8N2O2/c1-3-21-19-12-10-17(11-13-19)20(2)18-9-8-15-6-4-5-7-16(15)14-18;1-8-6-4-9-3-2-5(6)7(10)11/h8-14H,3-7H2,1-2H3;2-4,8H,1H3,(H,10,11)
InChIKeyZTWVIDIQGXSMKC-UHFFFAOYSA-N
XLogP5.55
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine;3-(methylamino)pyridine-4-carboxylic acid with MolForge

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Related Compounds

N-(4-ethoxyphenyl)-N-methyl-2,3-dihydro-1H-inden-5-amine;3-(methylamino)pyridine-4-carboxylic acid
CID 144987111
ethane;3-(methylamino)pyridine-4-carboxylic acid;1-N,1-N,4-N-trimethyl-4-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,4-diamine
CID 144987163
ethane;3-(methylamino)pyridine-4-carboxylic acid;N-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-amine
CID 144986850
methyl 3-(methylamino)pyridine-4-carboxylate;N-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-amine
CID 144986873
N-(4-ethoxyphenyl)-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 144987112
3-(methylamino)pyridine-4-carboxylic acid;N-methyl-N-(4-methylphenyl)-2,3-dihydro-1-benzofuran-6-amine
CID 144987236
N,2-dimethyl-N-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-6-amine;methyl 3-(methylamino)pyridine-4-carboxylate
CID 145346700
ethane;N-(4-fluoro-3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-7-amine;3-(methylamino)pyridine-4-carboxylic acid
CID 144987075
3-[[(1R)-5-(4-cyclopropyloxy-N-methylanilino)-2,3-dihydro-1H-inden-1-yl]methylamino]pyridine-4-carboxylic acid
CID 118606508
N-(4-cyclopropylphenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydronaphthalen-2-amine;methyl 3-(methylamino)pyridine-4-carboxylate
CID 144986902
3-[[6-[N-methyl-4-(2,2,2-trifluoroethoxy)anilino]-1,2,3,4-tetrahydroisoquinolin-1-yl]methylamino]pyridine-4-carboxylic acid
CID 129280287
3-[[(1S)-6-[N-methyl-4-(2,2,2-trifluoroethoxy)anilino]-1,2,3,4-tetrahydroisoquinolin-1-yl]methylamino]pyridine-4-carboxylic acid
CID 129280309

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine;3-(methylamino)pyridine-4-carboxylic acid?
The IUPAC name of N-(4-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine;3-(methylamino)pyridine-4-carboxylic acid (CID 144987131) is N-(4-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine;3-(methylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for N-(4-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine;3-(methylamino)pyridine-4-carboxylic acid?
The canonical SMILES for N-(4-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine;3-(methylamino)pyridine-4-carboxylic acid is CCOc1ccc(N(C)c2ccc3c(c2)CCCC3)cc1.CNc1cnccc1C(=O)O.
What is the InChIKey of N-(4-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine;3-(methylamino)pyridine-4-carboxylic acid?
The InChIKey is ZTWVIDIQGXSMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO.C7H8N2O2/c1-3-21-19-12-10-17(11-13-19)20(2)18-9-8-15-6-4-5-7-16(15)14-18;1-8-6-4-9-3-2-5(6)7(10)11/h8-14H,3-7H2,1-2H3;2-4,8H,1H3,(H,10,11).
What are the key properties of N-(4-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine;3-(methylamino)pyridine-4-carboxylic acid?
N-(4-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine;3-(methylamino)pyridine-4-carboxylic acid has a molecular weight of 433.55 g/mol, XLogP of 5.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine;3-(methylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 144987131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).