N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethoxymethyl)pyridin-4-amine

C29H38N4O3 — CID 167466359

IUPACN-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethoxymethyl)pyridin-4-amine
SMILESCOc1cccc(CN(Cc2cccc(N(C)C)c2)c2ccnc(COCCN3CCOCC3)c2)c1
InChIInChI=1S/C29H38N4O3/c1-31(2)27-8-4-6-24(18-27)21-33(22-25-7-5-9-29(19-25)34-3)28-10-11-30-26(20-28)23-36-17-14-32-12-15-35-16-13-32/h4-11,18-20H,12-17,21-23H2,1-3H3
InChIKeyXPHZNJKUBNDVPJ-UHFFFAOYSA-N
MW490.65 g/mol
LogP4.21
Rot. Bonds12

About N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethoxymethyl)pyridin-4-amine

N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethoxymethyl)pyridin-4-amine (PubChem CID 167466359) has the molecular formula C29H38N4O3 and a molecular weight of 490.65 g/mol. Its IUPAC name is N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethoxymethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethoxymethyl)pyridin-4-amine
PubChem CID167466359
Molecular FormulaC29H38N4O3
Molecular Weight490.65 g/mol
Exact Mass490.29
IUPAC NameN-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethoxymethyl)pyridin-4-amine
SMILESCOc1cccc(CN(Cc2cccc(N(C)C)c2)c2ccnc(COCCN3CCOCC3)c2)c1
InChIInChI=1S/C29H38N4O3/c1-31(2)27-8-4-6-24(18-27)21-33(22-25-7-5-9-29(19-25)34-3)28-10-11-30-26(20-28)23-36-17-14-32-12-15-35-16-13-32/h4-11,18-20H,12-17,21-23H2,1-3H3
InChIKeyXPHZNJKUBNDVPJ-UHFFFAOYSA-N
XLogP4.21
TPSA50.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methoxyphenyl)methyl]-3-(2-morpholin-4-ylethoxymethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]aniline
CID 167466026
N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-amine
CID 167466286
2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-4-amine
CID 167466330
N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-3-(2-morpholin-4-ylethoxymethyl)aniline
CID 167465475
3-[2-[3-(dimethylamino)phenoxy]ethoxymethyl]-N-[(3-methoxyphenyl)methyl]-N-[(3-morpholin-4-ylphenyl)methyl]aniline
CID 167465905
N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-4-amine
CID 167465242
N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-(quinolin-7-ylmethyl)aniline
CID 167466230
N-[(3-methoxyphenyl)methyl]-2-[2-(2-morpholin-4-ylethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 167465463
N-[(3-methoxyphenyl)methyl]-3-[2-(2-morpholin-4-ylethoxy)ethoxy]-N-[(3-pyrrolidin-1-ylphenyl)methyl]aniline
CID 167465345
N-[(3-methoxyphenyl)methyl]-2-(morpholin-4-ylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 167465553
N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine
CID 167466247
N-[(3-imidazol-1-ylphenyl)methyl]-2-[2-[(3-methoxyphenyl)methoxy]ethoxymethyl]-N-[(3-methoxyphenyl)methyl]pyridin-4-amine
CID 167466401

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethoxymethyl)pyridin-4-amine?
The IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethoxymethyl)pyridin-4-amine (CID 167466359) is N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethoxymethyl)pyridin-4-amine.
What is the SMILES notation for N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethoxymethyl)pyridin-4-amine?
The canonical SMILES for N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethoxymethyl)pyridin-4-amine is COc1cccc(CN(Cc2cccc(N(C)C)c2)c2ccnc(COCCN3CCOCC3)c2)c1.
What is the InChIKey of N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethoxymethyl)pyridin-4-amine?
The InChIKey is XPHZNJKUBNDVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O3/c1-31(2)27-8-4-6-24(18-27)21-33(22-25-7-5-9-29(19-25)34-3)28-10-11-30-26(20-28)23-36-17-14-32-12-15-35-16-13-32/h4-11,18-20H,12-17,21-23H2,1-3H3.
What are the key properties of N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethoxymethyl)pyridin-4-amine?
N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethoxymethyl)pyridin-4-amine has a molecular weight of 490.65 g/mol, XLogP of 4.21, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethoxymethyl)pyridin-4-amine is sourced from PubChem (CID 167466359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).