[2-[benzyl(methyl)amino]-6-[methyl(2-phenylethyl)amino]-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

C32H41N5O — CID 59727573

IUPAC[2-[benzyl(methyl)amino]-6-[methyl(2-phenylethyl)amino]-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCN(CCc1ccccc1)c1cc(C(=O)N2CCC[C@H]2CN2CCCC2)cc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C32H41N5O/c1-34(21-17-26-12-5-3-6-13-26)30-22-28(23-31(33-30)35(2)24-27-14-7-4-8-15-27)32(38)37-20-11-16-29(37)25-36-18-9-10-19-36/h3-8,12-15,22-23,29H,9-11,16-21,24-25H2,1-2H3/t29-/m0/s1
InChIKeyDLUZODGPXBDRAW-LJAQVGFWSA-N
MW511.71 g/mol
LogP5.10
Rot. Bonds10

About [2-[benzyl(methyl)amino]-6-[methyl(2-phenylethyl)amino]-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

[2-[benzyl(methyl)amino]-6-[methyl(2-phenylethyl)amino]-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 59727573) has the molecular formula C32H41N5O and a molecular weight of 511.71 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-6-[methyl(2-phenylethyl)amino]-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-6-[methyl(2-phenylethyl)amino]-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID59727573
Molecular FormulaC32H41N5O
Molecular Weight511.71 g/mol
Exact Mass511.33
IUPAC Name[2-[benzyl(methyl)amino]-6-[methyl(2-phenylethyl)amino]-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCN(CCc1ccccc1)c1cc(C(=O)N2CCC[C@H]2CN2CCCC2)cc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C32H41N5O/c1-34(21-17-26-12-5-3-6-13-26)30-22-28(23-31(33-30)35(2)24-27-14-7-4-8-15-27)32(38)37-20-11-16-29(37)25-36-18-9-10-19-36/h3-8,12-15,22-23,29H,9-11,16-21,24-25H2,1-2H3/t29-/m0/s1
InChIKeyDLUZODGPXBDRAW-LJAQVGFWSA-N
XLogP5.10
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.71
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[benzyl(methyl)amino]-6-[methyl(2-phenylethyl)amino]-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[benzyl(methyl)amino]-6-phenyl-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 59727234
[2-(1,3-benzodioxol-5-yl)-6-[benzyl(methyl)amino]-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 59727408
[6-(1,3-benzodioxol-5-yl)-2-[benzyl(methyl)amino]quinolin-4-yl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 59727247
[4-[2-(benzylamino)ethyl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 15951067
(4-butylphenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11965048
4-[2-[(3,4-dichlorophenyl)methyl-methylamino]-4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]quinolin-6-yl]benzonitrile
CID 59727300
(4-methoxyphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11529384
[4-[(dimethylamino)methyl]phenyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603955
(2-benzylpyrrolidin-1-yl)-[4-[(dimethylamino)methyl]phenyl]methanone
CID 75402551
[4-(2-phenoxyethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11960131
N-benzyl-4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzamide
CID 109047100
[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 95603844

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-6-[methyl(2-phenylethyl)amino]-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-[benzyl(methyl)amino]-6-[methyl(2-phenylethyl)amino]-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 59727573) is [2-[benzyl(methyl)amino]-6-[methyl(2-phenylethyl)amino]-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-[benzyl(methyl)amino]-6-[methyl(2-phenylethyl)amino]-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-[benzyl(methyl)amino]-6-[methyl(2-phenylethyl)amino]-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone is CN(CCc1ccccc1)c1cc(C(=O)N2CCC[C@H]2CN2CCCC2)cc(N(C)Cc2ccccc2)n1.
What is the InChIKey of [2-[benzyl(methyl)amino]-6-[methyl(2-phenylethyl)amino]-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is DLUZODGPXBDRAW-LJAQVGFWSA-N. The full InChI is InChI=1S/C32H41N5O/c1-34(21-17-26-12-5-3-6-13-26)30-22-28(23-31(33-30)35(2)24-27-14-7-4-8-15-27)32(38)37-20-11-16-29(37)25-36-18-9-10-19-36/h3-8,12-15,22-23,29H,9-11,16-21,24-25H2,1-2H3/t29-/m0/s1.
What are the key properties of [2-[benzyl(methyl)amino]-6-[methyl(2-phenylethyl)amino]-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
[2-[benzyl(methyl)amino]-6-[methyl(2-phenylethyl)amino]-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 511.71 g/mol, XLogP of 5.10, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-6-[methyl(2-phenylethyl)amino]-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 59727573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).