N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide

C23H29N3O3 — CID 110621715

IUPACN-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide
SMILESCCOc1ccc(C(CNC(=O)CCC(=O)c2cccnc2)N2CCCC2)cc1
InChIInChI=1S/C23H29N3O3/c1-2-29-20-9-7-18(8-10-20)21(26-14-3-4-15-26)17-25-23(28)12-11-22(27)19-6-5-13-24-16-19/h5-10,13,16,21H,2-4,11-12,14-15,17H2,1H3,(H,25,28)
InChIKeyDXOZUQCRVBZPCC-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.40
Rot. Bonds10

About N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide

N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide (PubChem CID 110621715) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide
PubChem CID110621715
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide
SMILESCCOc1ccc(C(CNC(=O)CCC(=O)c2cccnc2)N2CCCC2)cc1
InChIInChI=1S/C23H29N3O3/c1-2-29-20-9-7-18(8-10-20)21(26-14-3-4-15-26)17-25-23(28)12-11-22(27)19-6-5-13-24-16-19/h5-10,13,16,21H,2-4,11-12,14-15,17H2,1H3,(H,25,28)
InChIKeyDXOZUQCRVBZPCC-UHFFFAOYSA-N
XLogP3.40
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide
CID 55328450
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110622094
N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]butanamide
CID 112503869
3-acetamido-N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]propanamide
CID 110353409
4-oxo-N-(2-piperidin-1-ylpropyl)-4-pyridin-3-ylbutanamide
CID 110620637
4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide
CID 110406744
N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 112503867
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 51161543
4-[2-oxo-2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)amino]ethoxy]benzamide
CID 166229786
2-(4-ethoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 46529074
N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 112503446
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110623858

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide (CID 110621715) is N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide is CCOc1ccc(C(CNC(=O)CCC(=O)c2cccnc2)N2CCCC2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide?
The InChIKey is DXOZUQCRVBZPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-2-29-20-9-7-18(8-10-20)21(26-14-3-4-15-26)17-25-23(28)12-11-22(27)19-6-5-13-24-16-19/h5-10,13,16,21H,2-4,11-12,14-15,17H2,1H3,(H,25,28).
What are the key properties of N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide?
N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide has a molecular weight of 395.50 g/mol, XLogP of 3.40, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 110621715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).