2-(2-pyrrolidin-1-ylethyl)benzene-1,3-dicarboxamide

C14H19N3O2 — CID 69180819

IUPAC2-(2-pyrrolidin-1-ylethyl)benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(N)=O)c1CCN1CCCC1
InChIInChI=1S/C14H19N3O2/c15-13(18)11-4-3-5-12(14(16)19)10(11)6-9-17-7-1-2-8-17/h3-5H,1-2,6-9H2,(H2,15,18)(H2,16,19)
InChIKeyMYFOJPFYWMRSRJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.52
Rot. Bonds5

About 2-(2-pyrrolidin-1-ylethyl)benzene-1,3-dicarboxamide

2-(2-pyrrolidin-1-ylethyl)benzene-1,3-dicarboxamide (PubChem CID 69180819) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylethyl)benzene-1,3-dicarboxamide
PubChem CID69180819
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-(2-pyrrolidin-1-ylethyl)benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(N)=O)c1CCN1CCCC1
InChIInChI=1S/C14H19N3O2/c15-13(18)11-4-3-5-12(14(16)19)10(11)6-9-17-7-1-2-8-17/h3-5H,1-2,6-9H2,(H2,15,18)(H2,16,19)
InChIKeyMYFOJPFYWMRSRJ-UHFFFAOYSA-N
XLogP0.52
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-4-carboxamide
CID 175527345
3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide
CID 112578815
2-amino-3-(3-pyrrolidin-1-ylpropylamino)benzamide
CID 115546016
2-[(2-pyrrolidin-1-ylethylamino)methyl]benzamide
CID 55097569
1-[2-(azetidin-1-yl)ethyl]-2-oxopyridine-3-carboxamide
CID 18766877
2-(hydroxymethyl)benzene-1,3-dicarboxamide
CID 70473851
1-(3-aminopropyl)-2-methyl-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid
CID 83947165
2-[3-(2-piperidin-1-ylethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 18676129
2,3-diethylbenzamide;hydrofluoride
CID 175203586
2-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 170503321
3-(1H-benzimidazol-4-yl)-2-(2-piperidin-1-ylethyl)benzoic acid
CID 154387075
2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzenecarbothioamide
CID 55163227

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-ylethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 2-(2-pyrrolidin-1-ylethyl)benzene-1,3-dicarboxamide (CID 69180819) is 2-(2-pyrrolidin-1-ylethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 2-(2-pyrrolidin-1-ylethyl)benzene-1,3-dicarboxamide is NC(=O)c1cccc(C(N)=O)c1CCN1CCCC1.
What is the InChIKey of 2-(2-pyrrolidin-1-ylethyl)benzene-1,3-dicarboxamide?
The InChIKey is MYFOJPFYWMRSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-13(18)11-4-3-5-12(14(16)19)10(11)6-9-17-7-1-2-8-17/h3-5H,1-2,6-9H2,(H2,15,18)(H2,16,19).
What are the key properties of 2-(2-pyrrolidin-1-ylethyl)benzene-1,3-dicarboxamide?
2-(2-pyrrolidin-1-ylethyl)benzene-1,3-dicarboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 69180819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).