6-(6-methoxy-3-phenylmethoxynaphthalen-2-yl)-N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridazin-3-amine

C33H40N4O2 — CID 86710616

IUPAC6-(6-methoxy-3-phenylmethoxynaphthalen-2-yl)-N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridazin-3-amine
SMILESCOc1ccc2cc(-c3ccc(N(C)C4CC(C)(C)N(C)C(C)(C)C4)nn3)c(OCc3ccccc3)cc2c1
InChIInChI=1S/C33H40N4O2/c1-32(2)20-26(21-33(3,4)37(32)6)36(5)31-16-15-29(34-35-31)28-18-24-13-14-27(38-7)17-25(24)19-30(28)39-22-23-11-9-8-10-12-23/h8-19,26H,20-22H2,1-7H3
InChIKeyIICJUULRMBKDPB-UHFFFAOYSA-N
MW524.71 g/mol
LogP6.97
Rot. Bonds7

About 6-(6-methoxy-3-phenylmethoxynaphthalen-2-yl)-N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridazin-3-amine

6-(6-methoxy-3-phenylmethoxynaphthalen-2-yl)-N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridazin-3-amine (PubChem CID 86710616) has the molecular formula C33H40N4O2 and a molecular weight of 524.71 g/mol. Its IUPAC name is 6-(6-methoxy-3-phenylmethoxynaphthalen-2-yl)-N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(6-methoxy-3-phenylmethoxynaphthalen-2-yl)-N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridazin-3-amine
PubChem CID86710616
Molecular FormulaC33H40N4O2
Molecular Weight524.71 g/mol
Exact Mass524.32
IUPAC Name6-(6-methoxy-3-phenylmethoxynaphthalen-2-yl)-N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridazin-3-amine
SMILESCOc1ccc2cc(-c3ccc(N(C)C4CC(C)(C)N(C)C(C)(C)C4)nn3)c(OCc3ccccc3)cc2c1
InChIInChI=1S/C33H40N4O2/c1-32(2)20-26(21-33(3,4)37(32)6)36(5)31-16-15-29(34-35-31)28-18-24-13-14-27(38-7)17-25(24)19-30(28)39-22-23-11-9-8-10-12-23/h8-19,26H,20-22H2,1-7H3
InChIKeyIICJUULRMBKDPB-UHFFFAOYSA-N
XLogP6.97
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.71
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-6-(2-phenylmethoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 141443158
2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-6-phenylmethoxyquinoline;hydrochloride
CID 67072975
(4-methoxyphenyl)-(7-methoxy-3-phenylmethoxynaphthalen-2-yl)methanol
CID 25132186
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-(4-bromophenyl)-4-(4-methoxy-2-phenylmethoxyphenyl)-2-(2-phenylmethoxyphenyl)imidazole
CID 155184214
(5R)-3-[[6-[2-(methoxymethoxy)-4-(6-methoxypyridazin-4-yl)phenyl]pyridazin-3-yl]-methylamino]-1,5-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 155074734
2-[2,4-bis(phenylmethoxy)phenyl]-6-methoxy-1-benzofuran
CID 141293707
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethoxy-4,5-dihydroimidazol-2-amine
CID 166366954
1-(6-methoxy-3-phenylmethoxyquinolin-2-yl)ethanone
CID 19692233
7-methoxy-1-[(E)-2-nitroethenyl]-2-phenylmethoxynaphthalene
CID 10688195
[6-methoxy-2-(2-phenylmethoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 140514001
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294

Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-3-phenylmethoxynaphthalen-2-yl)-N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridazin-3-amine?
The IUPAC name of 6-(6-methoxy-3-phenylmethoxynaphthalen-2-yl)-N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridazin-3-amine (CID 86710616) is 6-(6-methoxy-3-phenylmethoxynaphthalen-2-yl)-N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridazin-3-amine.
What is the SMILES notation for 6-(6-methoxy-3-phenylmethoxynaphthalen-2-yl)-N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridazin-3-amine?
The canonical SMILES for 6-(6-methoxy-3-phenylmethoxynaphthalen-2-yl)-N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridazin-3-amine is COc1ccc2cc(-c3ccc(N(C)C4CC(C)(C)N(C)C(C)(C)C4)nn3)c(OCc3ccccc3)cc2c1.
What is the InChIKey of 6-(6-methoxy-3-phenylmethoxynaphthalen-2-yl)-N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridazin-3-amine?
The InChIKey is IICJUULRMBKDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N4O2/c1-32(2)20-26(21-33(3,4)37(32)6)36(5)31-16-15-29(34-35-31)28-18-24-13-14-27(38-7)17-25(24)19-30(28)39-22-23-11-9-8-10-12-23/h8-19,26H,20-22H2,1-7H3.
What are the key properties of 6-(6-methoxy-3-phenylmethoxynaphthalen-2-yl)-N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridazin-3-amine?
6-(6-methoxy-3-phenylmethoxynaphthalen-2-yl)-N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridazin-3-amine has a molecular weight of 524.71 g/mol, XLogP of 6.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-phenylmethoxynaphthalen-2-yl)-N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridazin-3-amine is sourced from PubChem (CID 86710616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).