3-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzene-1,3-dicarboxamide

C14H19N3O2 — CID 104955014

IUPAC3-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)NCC[C@@H]2CCCN2)c1
InChIInChI=1S/C14H19N3O2/c15-13(18)10-3-1-4-11(9-10)14(19)17-8-6-12-5-2-7-16-12/h1,3-4,9,12,16H,2,5-8H2,(H2,15,18)(H,17,19)/t12-/m0/s1
InChIKeyOWRUEEQPVWDJJB-LBPRGKRZSA-N
MW261.32 g/mol
LogP0.66
Rot. Bonds5

About 3-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzene-1,3-dicarboxamide

3-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzene-1,3-dicarboxamide (PubChem CID 104955014) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzene-1,3-dicarboxamide
PubChem CID104955014
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)NCC[C@@H]2CCCN2)c1
InChIInChI=1S/C14H19N3O2/c15-13(18)10-3-1-4-11(9-10)14(19)17-8-6-12-5-2-7-16-12/h1,3-4,9,12,16H,2,5-8H2,(H2,15,18)(H,17,19)/t12-/m0/s1
InChIKeyOWRUEEQPVWDJJB-LBPRGKRZSA-N
XLogP0.66
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2R)-pyrrolidin-2-yl]ethyl]naphthalene-2-carboxamide
CID 104971760
3-propan-2-yloxy-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793671
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-indole-6-carboxamide
CID 104971741
N-(2-piperidin-2-ylethyl)-3-propan-2-yloxybenzamide
CID 62919974
3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793684
2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793746
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-indole-5-carboxamide
CID 104971982
4-bromo-3-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955112
N-(2-pyrrolidin-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 114793811
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 104972064
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)benzamide;hydrochloride
CID 154909146
5-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide
CID 105057853

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzene-1,3-dicarboxamide (CID 104955014) is 3-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzene-1,3-dicarboxamide is NC(=O)c1cccc(C(=O)NCC[C@@H]2CCCN2)c1.
What is the InChIKey of 3-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzene-1,3-dicarboxamide?
The InChIKey is OWRUEEQPVWDJJB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-13(18)10-3-1-4-11(9-10)14(19)17-8-6-12-5-2-7-16-12/h1,3-4,9,12,16H,2,5-8H2,(H2,15,18)(H,17,19)/t12-/m0/s1.
What are the key properties of 3-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzene-1,3-dicarboxamide?
3-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzene-1,3-dicarboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 104955014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).