3-N-ethyl-1-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyrrolidine-1,3-dicarboxamide

C21H26N4O3 — CID 72938452

IUPAC3-N-ethyl-1-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyrrolidine-1,3-dicarboxamide
SMILESCCNC(=O)C1CCN(C(=O)Nc2ccc(OCCc3ccccn3)cc2)C1
InChIInChI=1S/C21H26N4O3/c1-2-22-20(26)16-10-13-25(15-16)21(27)24-18-6-8-19(9-7-18)28-14-11-17-5-3-4-12-23-17/h3-9,12,16H,2,10-11,13-15H2,1H3,(H,22,26)(H,24,27)
InChIKeyORWIPUGYADQFHP-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.69
Rot. Bonds7

About 3-N-ethyl-1-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyrrolidine-1,3-dicarboxamide

3-N-ethyl-1-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyrrolidine-1,3-dicarboxamide (PubChem CID 72938452) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-N-ethyl-1-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-ethyl-1-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyrrolidine-1,3-dicarboxamide
PubChem CID72938452
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name3-N-ethyl-1-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyrrolidine-1,3-dicarboxamide
SMILESCCNC(=O)C1CCN(C(=O)Nc2ccc(OCCc3ccccn3)cc2)C1
InChIInChI=1S/C21H26N4O3/c1-2-22-20(26)16-10-13-25(15-16)21(27)24-18-6-8-19(9-7-18)28-14-11-17-5-3-4-12-23-17/h3-9,12,16H,2,10-11,13-15H2,1H3,(H,22,26)(H,24,27)
InChIKeyORWIPUGYADQFHP-UHFFFAOYSA-N
XLogP2.69
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-phenyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 51250780
(2S)-2,4-dimethyl-3-oxo-N-[4-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide
CID 97454486
(3S)-3-N-methyl-1-N-[4-(2-pyridin-2-ylethyl)phenyl]piperidine-1,3-dicarboxamide
CID 126439599
(3R)-3-N-[2-(4-ethoxyphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 8530719
3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50846126
(3R)-3-N-ethyl-1-N-[4-(3-methylphenyl)phenyl]pyrrolidine-1,3-dicarboxamide
CID 125178178
(3R)-3-N-[2-(4-methylphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9088747
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320
N-ethyl-1-[3-(2-phenylethoxy)benzoyl]pyrrolidine-3-carboxamide
CID 131901390
N-[4-(2-pyridin-2-ylethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
CID 156607956
N-(4-butoxyphenyl)piperidine-1-carboxamide
CID 3042761
(1S,5S)-6-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 118770858

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyrrolidine-1,3-dicarboxamide?
The IUPAC name of 3-N-ethyl-1-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyrrolidine-1,3-dicarboxamide (CID 72938452) is 3-N-ethyl-1-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-ethyl-1-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-ethyl-1-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyrrolidine-1,3-dicarboxamide is CCNC(=O)C1CCN(C(=O)Nc2ccc(OCCc3ccccn3)cc2)C1.
What is the InChIKey of 3-N-ethyl-1-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyrrolidine-1,3-dicarboxamide?
The InChIKey is ORWIPUGYADQFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-2-22-20(26)16-10-13-25(15-16)21(27)24-18-6-8-19(9-7-18)28-14-11-17-5-3-4-12-23-17/h3-9,12,16H,2,10-11,13-15H2,1H3,(H,22,26)(H,24,27).
What are the key properties of 3-N-ethyl-1-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyrrolidine-1,3-dicarboxamide?
3-N-ethyl-1-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyrrolidine-1,3-dicarboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 72938452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).