2,5-bis(pyrrolidin-3-ylmethyl)benzamide

C17H25N3O — CID 152557233

IUPAC2,5-bis(pyrrolidin-3-ylmethyl)benzamide
SMILESNC(=O)c1cc(CC2CCNC2)ccc1CC1CCNC1
InChIInChI=1S/C17H25N3O/c18-17(21)16-9-12(7-13-3-5-19-10-13)1-2-15(16)8-14-4-6-20-11-14/h1-2,9,13-14,19-20H,3-8,10-11H2,(H2,18,21)
InChIKeyYOSZVIVYBHTUPL-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.09
Rot. Bonds5

About 2,5-bis(pyrrolidin-3-ylmethyl)benzamide

2,5-bis(pyrrolidin-3-ylmethyl)benzamide (PubChem CID 152557233) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2,5-bis(pyrrolidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2,5-bis(pyrrolidin-3-ylmethyl)benzamide
PubChem CID152557233
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2,5-bis(pyrrolidin-3-ylmethyl)benzamide
SMILESNC(=O)c1cc(CC2CCNC2)ccc1CC1CCNC1
InChIInChI=1S/C17H25N3O/c18-17(21)16-9-12(7-13-3-5-19-10-13)1-2-15(16)8-14-4-6-20-11-14/h1-2,9,13-14,19-20H,3-8,10-11H2,(H2,18,21)
InChIKeyYOSZVIVYBHTUPL-UHFFFAOYSA-N
XLogP1.09
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3S)-piperidin-3-yl]methyl]benzamide
CID 154457528
2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetic acid
CID 115031443
4-(piperidin-4-ylmethyl)-2-(trifluoromethyl)benzamide
CID 175939271
3-[(3,4-dichlorophenyl)methyl]pyrrolidine
CID 82158944
N-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171712860
3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
3-chloro-4-(pyrrolidin-3-ylmethyl)benzoic acid
CID 84800004
3-methyl-5-(pyrrolidin-3-ylmethyl)-2H-indazole
CID 84784140
2-fluoro-5-(pyrrolidin-3-ylmethyl)-N-[3-(2H-tetrazol-5-yl)propyl]benzamide;hydrochloride
CID 171711219
3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine
CID 84665010
4-(pyrrolidin-3-ylmethyl)benzaldehyde
CID 105443694

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(pyrrolidin-3-ylmethyl)benzamide?
The IUPAC name of 2,5-bis(pyrrolidin-3-ylmethyl)benzamide (CID 152557233) is 2,5-bis(pyrrolidin-3-ylmethyl)benzamide.
What is the SMILES notation for 2,5-bis(pyrrolidin-3-ylmethyl)benzamide?
The canonical SMILES for 2,5-bis(pyrrolidin-3-ylmethyl)benzamide is NC(=O)c1cc(CC2CCNC2)ccc1CC1CCNC1.
What is the InChIKey of 2,5-bis(pyrrolidin-3-ylmethyl)benzamide?
The InChIKey is YOSZVIVYBHTUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c18-17(21)16-9-12(7-13-3-5-19-10-13)1-2-15(16)8-14-4-6-20-11-14/h1-2,9,13-14,19-20H,3-8,10-11H2,(H2,18,21).
What are the key properties of 2,5-bis(pyrrolidin-3-ylmethyl)benzamide?
2,5-bis(pyrrolidin-3-ylmethyl)benzamide has a molecular weight of 287.41 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(pyrrolidin-3-ylmethyl)benzamide is sourced from PubChem (CID 152557233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).