N-[[3-(3,4-dimethoxy-5-propylphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-N-[4-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]cyclohexyl]-2-methoxyaniline

C48H61N3O5 — CID 142905999

IUPACN-[[3-(3,4-dimethoxy-5-propylphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-N-[4-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]cyclohexyl]-2-methoxyaniline
SMILESCCCc1cc(C2=CC(CN(c3ccccc3OC)C3CCC(Cc4ccnc(-c5cc(CCC)c(OC)c(OC)c5)c4)CC3)=CN(C)C2)cc(OC)c1OC
InChIInChI=1S/C48H61N3O5/c1-9-13-36-26-38(28-45(53-5)47(36)55-7)40-24-35(30-50(3)32-40)31-51(43-15-11-12-16-44(43)52-4)41-19-17-33(18-20-41)23-34-21-22-49-42(25-34)39-27-37(14-10-2)48(56-8)46(29-39)54-6/h11-12,15-16,21-22,24-30,33,41H,9-10,13-14,17-20,23,31-32H2,1-8H3
InChIKeyIZWDTCIPLNKIRM-UHFFFAOYSA-N
MW760.03 g/mol
LogP10.22
Rot. Bonds17

About N-[[3-(3,4-dimethoxy-5-propylphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-N-[4-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]cyclohexyl]-2-methoxyaniline

N-[[3-(3,4-dimethoxy-5-propylphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-N-[4-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]cyclohexyl]-2-methoxyaniline (PubChem CID 142905999) has the molecular formula C48H61N3O5 and a molecular weight of 760.03 g/mol. Its IUPAC name is N-[[3-(3,4-dimethoxy-5-propylphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-N-[4-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]cyclohexyl]-2-methoxyaniline.

Molecular Properties

Compound NameN-[[3-(3,4-dimethoxy-5-propylphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-N-[4-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]cyclohexyl]-2-methoxyaniline
PubChem CID142905999
Molecular FormulaC48H61N3O5
Molecular Weight760.03 g/mol
Exact Mass759.46
IUPAC NameN-[[3-(3,4-dimethoxy-5-propylphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-N-[4-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]cyclohexyl]-2-methoxyaniline
SMILESCCCc1cc(C2=CC(CN(c3ccccc3OC)C3CCC(Cc4ccnc(-c5cc(CCC)c(OC)c(OC)c5)c4)CC3)=CN(C)C2)cc(OC)c1OC
InChIInChI=1S/C48H61N3O5/c1-9-13-36-26-38(28-45(53-5)47(36)55-7)40-24-35(30-50(3)32-40)31-51(43-15-11-12-16-44(43)52-4)41-19-17-33(18-20-41)23-34-21-22-49-42(25-34)39-27-37(14-10-2)48(56-8)46(29-39)54-6/h11-12,15-16,21-22,24-30,33,41H,9-10,13-14,17-20,23,31-32H2,1-8H3
InChIKeyIZWDTCIPLNKIRM-UHFFFAOYSA-N
XLogP10.22
TPSA65.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.03
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[[3-(3,4-dimethoxy-5-propylphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-N-[4-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]cyclohexyl]-2-methoxyaniline with MolForge

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Related Compounds

tert-butyl 4-[2-methoxy-N-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]anilino]piperidine-1-carboxylate
CID 22557834
N-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine
CID 142906018
N-[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-ethoxyphenyl)-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 142905993
N-(3,5-dimethoxyphenyl)-N-[[2-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 12043139
N-[[3-(3-cyclopropyl-4,5-dimethoxyphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-1-[[5-(3,4-dimethoxy-5-propylphenyl)-1,2-dihydropyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperidin-4-amine
CID 142818371
N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-1-[[2-(3-cyclopropyl-5-methoxy-4-propylphenyl)-4-pyridinyl]methyl]-N-phenylpiperidin-4-amine
CID 142218021
N-(3-methylthiophen-2-yl)-N-[[2-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 22558076
N-benzyl-1-[[2-(3,5-dimethoxy-4-methylphenyl)-4-pyridinyl]methyl]-N-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 142906223
methane;N-(4-methoxyphenyl)-N-[[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 158522355
5-[5-[(N-[1-[cyclopropylidene-[(2-methylpropan-2-yl)oxy]methyl]piperidin-4-yl]anilino)methyl]-1-methyl-2H-pyridin-3-yl]-3-methoxybenzene-1,2-diol
CID 142818122
(3S)-N-methyl-N,1-bis[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]pyrrolidin-3-amine;tetrahydrochloride
CID 68918610
1-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)-N-[[(1E,3E,7E)-7-(3,4,5-trimethoxyphenyl)cycloocta-1,3,7-trien-1-yl]methyl]piperidin-4-amine
CID 142218030

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-dimethoxy-5-propylphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-N-[4-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]cyclohexyl]-2-methoxyaniline?
The IUPAC name of N-[[3-(3,4-dimethoxy-5-propylphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-N-[4-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]cyclohexyl]-2-methoxyaniline (CID 142905999) is N-[[3-(3,4-dimethoxy-5-propylphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-N-[4-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]cyclohexyl]-2-methoxyaniline.
What is the SMILES notation for N-[[3-(3,4-dimethoxy-5-propylphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-N-[4-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]cyclohexyl]-2-methoxyaniline?
The canonical SMILES for N-[[3-(3,4-dimethoxy-5-propylphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-N-[4-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]cyclohexyl]-2-methoxyaniline is CCCc1cc(C2=CC(CN(c3ccccc3OC)C3CCC(Cc4ccnc(-c5cc(CCC)c(OC)c(OC)c5)c4)CC3)=CN(C)C2)cc(OC)c1OC.
What is the InChIKey of N-[[3-(3,4-dimethoxy-5-propylphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-N-[4-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]cyclohexyl]-2-methoxyaniline?
The InChIKey is IZWDTCIPLNKIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H61N3O5/c1-9-13-36-26-38(28-45(53-5)47(36)55-7)40-24-35(30-50(3)32-40)31-51(43-15-11-12-16-44(43)52-4)41-19-17-33(18-20-41)23-34-21-22-49-42(25-34)39-27-37(14-10-2)48(56-8)46(29-39)54-6/h11-12,15-16,21-22,24-30,33,41H,9-10,13-14,17-20,23,31-32H2,1-8H3.
What are the key properties of N-[[3-(3,4-dimethoxy-5-propylphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-N-[4-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]cyclohexyl]-2-methoxyaniline?
N-[[3-(3,4-dimethoxy-5-propylphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-N-[4-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]cyclohexyl]-2-methoxyaniline has a molecular weight of 760.03 g/mol, XLogP of 10.22, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,4-dimethoxy-5-propylphenyl)-1-methyl-2H-pyridin-5-yl]methyl]-N-[4-[[2-(3,4-dimethoxy-5-propylphenyl)-4-pyridinyl]methyl]cyclohexyl]-2-methoxyaniline is sourced from PubChem (CID 142905999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).