3-[[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methyl]benzamide

C20H26N4O — CID 154744472

IUPAC3-[[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methyl]benzamide
SMILESCN(Cc1cccnc1)CC1CCN(Cc2cccc(C(N)=O)c2)C1
InChIInChI=1S/C20H26N4O/c1-23(12-17-5-3-8-22-11-17)13-18-7-9-24(15-18)14-16-4-2-6-19(10-16)20(21)25/h2-6,8,10-11,18H,7,9,12-15H2,1H3,(H2,21,25)
InChIKeyWTXFIYUJLSRZSE-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.13
Rot. Bonds7

About 3-[[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methyl]benzamide

3-[[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methyl]benzamide (PubChem CID 154744472) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-[[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methyl]benzamide
PubChem CID154744472
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name3-[[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methyl]benzamide
SMILESCN(Cc1cccnc1)CC1CCN(Cc2cccc(C(N)=O)c2)C1
InChIInChI=1S/C20H26N4O/c1-23(12-17-5-3-8-22-11-17)13-18-7-9-24(15-18)14-16-4-2-6-19(10-16)20(21)25/h2-6,8,10-11,18H,7,9,12-15H2,1H3,(H2,21,25)
InChIKeyWTXFIYUJLSRZSE-UHFFFAOYSA-N
XLogP2.13
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 129400770
1-[1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 128999142
3-[[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methyl]benzamide
CID 87014882
3-[(3-aminopyrrolidin-1-yl)methyl]benzamide;hydrochloride
CID 119917602
1-[(3R)-1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 129400777
1-[(3S)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 129400764
N-methyl-1-[(3S)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 129400762
1-[(3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 129477138
1-[1-[(2-ethoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 128967433
(3,4-dimethylphenyl)-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 128970177
2-(3-fluorophenyl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 129401045
N-cyclopent-3-en-1-yl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide
CID 128997042

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methyl]benzamide?
The IUPAC name of 3-[[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methyl]benzamide (CID 154744472) is 3-[[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methyl]benzamide.
What is the SMILES notation for 3-[[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methyl]benzamide?
The canonical SMILES for 3-[[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methyl]benzamide is CN(Cc1cccnc1)CC1CCN(Cc2cccc(C(N)=O)c2)C1.
What is the InChIKey of 3-[[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methyl]benzamide?
The InChIKey is WTXFIYUJLSRZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-23(12-17-5-3-8-22-11-17)13-18-7-9-24(15-18)14-16-4-2-6-19(10-16)20(21)25/h2-6,8,10-11,18H,7,9,12-15H2,1H3,(H2,21,25).
What are the key properties of 3-[[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methyl]benzamide?
3-[[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methyl]benzamide has a molecular weight of 338.45 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 154744472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).