N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-amine

C28H36N4O — CID 167466286

IUPACN-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-amine
SMILESCOc1cccc(CN(Cc2cccc(N(C)C)c2)c2ccnc(CN3CCCCC3)c2)c1
InChIInChI=1S/C28H36N4O/c1-30(2)26-11-7-9-23(17-26)20-32(21-24-10-8-12-28(18-24)33-3)27-13-14-29-25(19-27)22-31-15-5-4-6-16-31/h7-14,17-19H,4-6,15-16,20-22H2,1-3H3
InChIKeyLUYLPHPKFDOADV-UHFFFAOYSA-N
MW444.62 g/mol
LogP5.35
Rot. Bonds9

About N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-amine

N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-amine (PubChem CID 167466286) has the molecular formula C28H36N4O and a molecular weight of 444.62 g/mol. Its IUPAC name is N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-amine
PubChem CID167466286
Molecular FormulaC28H36N4O
Molecular Weight444.62 g/mol
Exact Mass444.29
IUPAC NameN-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-amine
SMILESCOc1cccc(CN(Cc2cccc(N(C)C)c2)c2ccnc(CN3CCCCC3)c2)c1
InChIInChI=1S/C28H36N4O/c1-30(2)26-11-7-9-23(17-26)20-32(21-24-10-8-12-28(18-24)33-3)27-13-14-29-25(19-27)22-31-15-5-4-6-16-31/h7-14,17-19H,4-6,15-16,20-22H2,1-3H3
InChIKeyLUYLPHPKFDOADV-UHFFFAOYSA-N
XLogP5.35
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)-N-(quinolin-7-ylmethyl)pyridin-4-amine
CID 167465398
N-[(3-methoxyphenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-4-amine
CID 167465723
N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethoxymethyl)pyridin-4-amine
CID 167466359
N-[(3-methoxyphenyl)methyl]-3-(piperidin-1-ylmethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]aniline
CID 167465874
N-[(3-methoxyphenyl)methyl]-2-(morpholin-4-ylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 167465553
2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-4-amine
CID 167466330
N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-4-amine
CID 167465242
2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 61418078
N-[(3-methoxyphenyl)methyl]-N-[(4-morpholin-4-ylphenyl)methyl]-4-(piperidin-1-ylmethyl)aniline
CID 167465735
N-[(3-imidazol-1-ylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)aniline
CID 167465773
1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine
CID 174819320
3-[[4-[2-[3-(dimethylamino)phenoxy]ethoxymethyl]-N-[(3-methoxyphenyl)methyl]anilino]methyl]-N,N-dimethylaniline
CID 167466319

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-amine?
The IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-amine (CID 167466286) is N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-amine.
What is the SMILES notation for N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-amine?
The canonical SMILES for N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-amine is COc1cccc(CN(Cc2cccc(N(C)C)c2)c2ccnc(CN3CCCCC3)c2)c1.
What is the InChIKey of N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-amine?
The InChIKey is LUYLPHPKFDOADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O/c1-30(2)26-11-7-9-23(17-26)20-32(21-24-10-8-12-28(18-24)33-3)27-13-14-29-25(19-27)22-31-15-5-4-6-16-31/h7-14,17-19H,4-6,15-16,20-22H2,1-3H3.
What are the key properties of N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-amine?
N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-amine has a molecular weight of 444.62 g/mol, XLogP of 5.35, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-amine is sourced from PubChem (CID 167466286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).