(3S)-N-methyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]pyrrolidin-3-amine

C20H27N3O3 — CID 12043144

IUPAC(3S)-N-methyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]pyrrolidin-3-amine
SMILESCN[C@H]1CCN(Cc2ccnc(-c3cc(OC)c(OC)c(OC)c3)c2)C1
InChIInChI=1S/C20H27N3O3/c1-21-16-6-8-23(13-16)12-14-5-7-22-17(9-14)15-10-18(24-2)20(26-4)19(11-15)25-3/h5,7,9-11,16,21H,6,8,12-13H2,1-4H3/t16-/m0/s1
InChIKeyWKJGUADXPGVKJA-INIZCTEOSA-N
MW357.45 g/mol
LogP2.57
Rot. Bonds7

About (3S)-N-methyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]pyrrolidin-3-amine

(3S)-N-methyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]pyrrolidin-3-amine (PubChem CID 12043144) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is (3S)-N-methyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-methyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]pyrrolidin-3-amine
PubChem CID12043144
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name(3S)-N-methyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]pyrrolidin-3-amine
SMILESCN[C@H]1CCN(Cc2ccnc(-c3cc(OC)c(OC)c(OC)c3)c2)C1
InChIInChI=1S/C20H27N3O3/c1-21-16-6-8-23(13-16)12-14-5-7-22-17(9-14)15-10-18(24-2)20(26-4)19(11-15)25-3/h5,7,9-11,16,21H,6,8,12-13H2,1-4H3/t16-/m0/s1
InChIKeyWKJGUADXPGVKJA-INIZCTEOSA-N
XLogP2.57
TPSA55.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-N-methyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]pyrrolidin-3-amine with MolForge

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Related Compounds

4-[(4-methylpiperidin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)pyridine
CID 21338831
1-[[2-(4-chloro-3,5-dimethoxyphenyl)-4-pyridinyl]methyl]-N-methylpiperidin-4-amine
CID 22557933
(3S)-N-methyl-N,1-bis[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]pyrrolidin-3-amine;tetrahydrochloride
CID 68918610
4-(piperidin-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyridine;tetrahydrochloride
CID 141070239
ethane;1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-one
CID 142818332
ethane;3-methoxy-5-[4-[[4-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperazin-1-yl]methyl]-2-pyridinyl]benzene-1,2-diol
CID 142882142
1-[(5,6,7-trimethoxynaphthalen-2-yl)methyl]-4-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperazine
CID 18546806
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
N-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]-N-[1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-yl]methanesulfonamide
CID 11721724
N-benzyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]-N-[[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]piperidin-4-amine
CID 21338848
phenyl-[4-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperazin-1-yl]methanone
CID 18546829
N-(3-methylsulfanylphenyl)-N,1-bis[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 18342996

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-N-methyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]pyrrolidin-3-amine (CID 12043144) is (3S)-N-methyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-methyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-N-methyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]pyrrolidin-3-amine is CN[C@H]1CCN(Cc2ccnc(-c3cc(OC)c(OC)c(OC)c3)c2)C1.
What is the InChIKey of (3S)-N-methyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]pyrrolidin-3-amine?
The InChIKey is WKJGUADXPGVKJA-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-21-16-6-8-23(13-16)12-14-5-7-22-17(9-14)15-10-18(24-2)20(26-4)19(11-15)25-3/h5,7,9-11,16,21H,6,8,12-13H2,1-4H3/t16-/m0/s1.
What are the key properties of (3S)-N-methyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]pyrrolidin-3-amine?
(3S)-N-methyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]pyrrolidin-3-amine has a molecular weight of 357.45 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 12043144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).