6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-chloropyridine-3-carboxylate;methyl 6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine;1,1,4,4-tetramethyl-6-nitro-2,3-dihydronaphthalene

C102H131ClN8O10 — CID 157439651

IUPAC6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-chloropyridine-3-carboxylate;methyl 6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine;1,1,4,4-tetramethyl-6-nitro-2,3-dihydronaphthalene
SMILESCC1(C)CCC(C)(C)c2cc(N)ccc21.CC1(C)CCC(C)(C)c2cc([N+](=O)[O-])ccc21.CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(C(=O)O)cn1.CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(C(=O)OC)cn1.COC(=O)c1ccc(Cc2ccc3c(c2)C(C)(C)CCC3(C)C)nc1.COC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C23H30N2O2.C22H28N2O2.C22H27NO2.C14H19NO2.C14H21N.C7H6ClNO2/c1-7-25(20-11-8-16(15-24-20)21(26)27-6)17-9-10-18-19(14-17)23(4,5)13-12-22(18,2)3;1-6-24(19-10-7-15(14-23-19)20(25)26)16-8-9-17-18(13-16)22(4,5)12-11-21(17,2)3;1-21(2)10-11-22(3,4)19-13-15(6-9-18(19)21)12-17-8-7-16(14-23-17)20(24)25-5;1-13(2)7-8-14(3,4)12-9-10(15(16)17)5-6-11(12)13;1-13(2)7-8-14(3,4)12-9-10(15)5-6-11(12)13;1-11-7(10)5-2-3-6(8)9-4-5/h8-11,14-15H,7,12-13H2,1-6H3;7-10,13-14H,6,11-12H2,1-5H3,(H,25,26);6-9,13-14H,10-12H2,1-5H3;5-6,9H,7-8H2,1-4H3;5-6,9H,7-8,15H2,1-4H3;2-4H,1H3
InChIKeyBRNANBAXSJZYGP-UHFFFAOYSA-N
MW1664.67 g/mol
LogP24.55
Rot. Bonds13

About 6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-chloropyridine-3-carboxylate;methyl 6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine;1,1,4,4-tetramethyl-6-nitro-2,3-dihydronaphthalene

6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-chloropyridine-3-carboxylate;methyl 6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine;1,1,4,4-tetramethyl-6-nitro-2,3-dihydronaphthalene (PubChem CID 157439651) has the molecular formula C102H131ClN8O10 and a molecular weight of 1664.67 g/mol. Its IUPAC name is 6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-chloropyridine-3-carboxylate;methyl 6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine;1,1,4,4-tetramethyl-6-nitro-2,3-dihydronaphthalene.

Molecular Properties

Compound Name6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-chloropyridine-3-carboxylate;methyl 6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine;1,1,4,4-tetramethyl-6-nitro-2,3-dihydronaphthalene
PubChem CID157439651
Molecular FormulaC102H131ClN8O10
Molecular Weight1664.67 g/mol
Exact Mass1662.97
IUPAC Name6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-chloropyridine-3-carboxylate;methyl 6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine;1,1,4,4-tetramethyl-6-nitro-2,3-dihydronaphthalene
SMILESCC1(C)CCC(C)(C)c2cc(N)ccc21.CC1(C)CCC(C)(C)c2cc([N+](=O)[O-])ccc21.CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(C(=O)O)cn1.CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(C(=O)OC)cn1.COC(=O)c1ccc(Cc2ccc3c(c2)C(C)(C)CCC3(C)C)nc1.COC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C23H30N2O2.C22H28N2O2.C22H27NO2.C14H19NO2.C14H21N.C7H6ClNO2/c1-7-25(20-11-8-16(15-24-20)21(26)27-6)17-9-10-18-19(14-17)23(4,5)13-12-22(18,2)3;1-6-24(19-10-7-15(14-23-19)20(25)26)16-8-9-17-18(13-16)22(4,5)12-11-21(17,2)3;1-21(2)10-11-22(3,4)19-13-15(6-9-18(19)21)12-17-8-7-16(14-23-17)20(24)25-5;1-13(2)7-8-14(3,4)12-9-10(15(16)17)5-6-11(12)13;1-13(2)7-8-14(3,4)12-9-10(15)5-6-11(12)13;1-11-7(10)5-2-3-6(8)9-4-5/h8-11,14-15H,7,12-13H2,1-6H3;7-10,13-14H,6,11-12H2,1-5H3,(H,25,26);6-9,13-14H,10-12H2,1-5H3;5-6,9H,7-8H2,1-4H3;5-6,9H,7-8,15H2,1-4H3;2-4H,1H3
InChIKeyBRNANBAXSJZYGP-UHFFFAOYSA-N
XLogP24.55
TPSA243.40 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001664.67
LogP ≤ 524.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-chloropyridine-3-carboxylate;methyl 6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine;1,1,4,4-tetramethyl-6-nitro-2,3-dihydronaphthalene with MolForge

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Related Compounds

acetyl acetate;tert-butyl N-[2-[2-oxo-2-(2-piperidin-1-ylquinolin-6-yl)ethyl]phenyl]carbamate;methyl 2-chloroquinoline-6-carboxylate;methyl 1-oxidoquinolin-1-ium-6-carboxylate;methyl 2-oxo-1H-quinoline-6-carboxylate;methyl 2-piperidin-1-ylquinoline-6-carboxylate;methyl quinoline-6-carboxylate;2-piperidin-1-ylquinoline-6-carboxylic acid
CID 157210072
4-(chloromethyl)benzoic acid;(E)-3-(dimethylamino)-1-(6-methyl-3-pyridinyl)prop-2-en-1-one;ethyl 6-methylpyridine-3-carboxylate;1-methoxy-N,N-dimethylethanamine;2-[4-methyl-3-[[4-(6-methyl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;4-methyl-3-N-[4-(6-methyl-3-pyridinyl)pyrimidin-2-yl]benzene-1,3-diamine;2-methyl-5-nitroaniline;2-(2-methyl-5-nitrophenyl)ethanimidamide;N-(2-methyl-5-nitrophenyl)-4-(6-methyl-3-pyridinyl)pyrimidin-2-amine;1-methylpiperazine;4-[(4-methylpiperazin-1-yl)methyl]benzoic acid;4-[(4-methylpiperazin-1-yl)methyl]benzoyl chloride;1-(6-methyl-3-pyridinyl)ethanone;nitric acid
CID 157249825
6-Bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 2,6-diaminopyridine-3-carboxylate;methyl 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate
CID 157948717
N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-phenylpyridine-3-carboxamide;6-chloro-3-nitropyridin-2-amine;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-phenylpyridine-3-carboxamide;methyl 6-chloropyridine-3-carboxylate;methyl 6-phenylpyridine-3-carboxylate;6-phenylpyridine-3-carboxylic acid
CID 158711979
2-(2-Aminophenyl)-1-(2-piperazin-1-ylquinolin-6-yl)ethanone;tert-butyl 4-[6-[2-(2-aminophenyl)acetyl]quinolin-2-yl]piperazine-1-carboxylate;methyl 2-chloroquinoline-6-carboxylate;methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-6-carboxylate;methyl 1-oxidoquinolin-1-ium-6-carboxylate;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-6-carboxylic acid;methyl quinoline-6-carboxylate
CID 159315608
6-Bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-aminopyridine-3-carboxylate;methyl 6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate
CID 161494760
3-[(4-Tert-butylcyclohexyl)amino]isoquinoline-6-carboxylic acid;bis(methyl 3-[(4-tert-butylcyclohexyl)amino]isoquinoline-6-carboxylate);methyl 3-chloroisoquinoline-6-carboxylate
CID 161979782
2-chloro-4-[(3-methylphenyl)methyl]pyridine;N-(2-hydroxyethyl)-4-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]benzamide;methane;methyl 4-aminobenzoate;methyl 4-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]benzoate;4-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]benzoic acid
CID 165079213

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-chloropyridine-3-carboxylate;methyl 6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine;1,1,4,4-tetramethyl-6-nitro-2,3-dihydronaphthalene?
The IUPAC name of 6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-chloropyridine-3-carboxylate;methyl 6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine;1,1,4,4-tetramethyl-6-nitro-2,3-dihydronaphthalene (CID 157439651) is 6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-chloropyridine-3-carboxylate;methyl 6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine;1,1,4,4-tetramethyl-6-nitro-2,3-dihydronaphthalene.
What is the SMILES notation for 6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-chloropyridine-3-carboxylate;methyl 6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine;1,1,4,4-tetramethyl-6-nitro-2,3-dihydronaphthalene?
The canonical SMILES for 6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-chloropyridine-3-carboxylate;methyl 6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine;1,1,4,4-tetramethyl-6-nitro-2,3-dihydronaphthalene is CC1(C)CCC(C)(C)c2cc(N)ccc21.CC1(C)CCC(C)(C)c2cc([N+](=O)[O-])ccc21.CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(C(=O)O)cn1.CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(C(=O)OC)cn1.COC(=O)c1ccc(Cc2ccc3c(c2)C(C)(C)CCC3(C)C)nc1.COC(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-chloropyridine-3-carboxylate;methyl 6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine;1,1,4,4-tetramethyl-6-nitro-2,3-dihydronaphthalene?
The InChIKey is BRNANBAXSJZYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2.C22H28N2O2.C22H27NO2.C14H19NO2.C14H21N.C7H6ClNO2/c1-7-25(20-11-8-16(15-24-20)21(26)27-6)17-9-10-18-19(14-17)23(4,5)13-12-22(18,2)3;1-6-24(19-10-7-15(14-23-19)20(25)26)16-8-9-17-18(13-16)22(4,5)12-11-21(17,2)3;1-21(2)10-11-22(3,4)19-13-15(6-9-18(19)21)12-17-8-7-16(14-23-17)20(24)25-5;1-13(2)7-8-14(3,4)12-9-10(15(16)17)5-6-11(12)13;1-13(2)7-8-14(3,4)12-9-10(15)5-6-11(12)13;1-11-7(10)5-2-3-6(8)9-4-5/h8-11,14-15H,7,12-13H2,1-6H3;7-10,13-14H,6,11-12H2,1-5H3,(H,25,26);6-9,13-14H,10-12H2,1-5H3;5-6,9H,7-8H2,1-4H3;5-6,9H,7-8,15H2,1-4H3;2-4H,1H3.
What are the key properties of 6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-chloropyridine-3-carboxylate;methyl 6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine;1,1,4,4-tetramethyl-6-nitro-2,3-dihydronaphthalene?
6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-chloropyridine-3-carboxylate;methyl 6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine;1,1,4,4-tetramethyl-6-nitro-2,3-dihydronaphthalene has a molecular weight of 1664.67 g/mol, XLogP of 24.55, 13 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;methyl 6-chloropyridine-3-carboxylate;methyl 6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylate;methyl 6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylate;5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine;1,1,4,4-tetramethyl-6-nitro-2,3-dihydronaphthalene is sourced from PubChem (CID 157439651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).