2-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-N-(pyrrolidin-2-ylmethyl)acetamide

C22H29N3O3 — CID 59529213

IUPAC2-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESCCOc1ccc(-c2ccc(CC(=O)NCC3CCCN3)nc2)c(OCC)c1
InChIInChI=1S/C22H29N3O3/c1-3-27-19-9-10-20(21(13-19)28-4-2)16-7-8-17(24-14-16)12-22(26)25-15-18-6-5-11-23-18/h7-10,13-14,18,23H,3-6,11-12,15H2,1-2H3,(H,25,26)
InChIKeyFCOKRWCXNWIUAD-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.96
Rot. Bonds9

About 2-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-N-(pyrrolidin-2-ylmethyl)acetamide

2-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-N-(pyrrolidin-2-ylmethyl)acetamide (PubChem CID 59529213) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-N-(pyrrolidin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-N-(pyrrolidin-2-ylmethyl)acetamide
PubChem CID59529213
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name2-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESCCOc1ccc(-c2ccc(CC(=O)NCC3CCCN3)nc2)c(OCC)c1
InChIInChI=1S/C22H29N3O3/c1-3-27-19-9-10-20(21(13-19)28-4-2)16-7-8-17(24-14-16)12-22(26)25-15-18-6-5-11-23-18/h7-10,13-14,18,23H,3-6,11-12,15H2,1-2H3,(H,25,26)
InChIKeyFCOKRWCXNWIUAD-UHFFFAOYSA-N
XLogP2.96
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide;dihydrochloride
CID 119513323
2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119509770
2-(2-bromo-4,5-diethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119510428
3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513246
2-(2-ethoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511064
5-ethoxy-N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide
CID 15055940
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119510569
3-(3,4-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119514495
2-(2-ethylphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119510399
3-ethoxy-4-(2-phenoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514257
2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 63045287
3-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510409

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-N-(pyrrolidin-2-ylmethyl)acetamide?
The IUPAC name of 2-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-N-(pyrrolidin-2-ylmethyl)acetamide (CID 59529213) is 2-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-N-(pyrrolidin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-N-(pyrrolidin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-N-(pyrrolidin-2-ylmethyl)acetamide is CCOc1ccc(-c2ccc(CC(=O)NCC3CCCN3)nc2)c(OCC)c1.
What is the InChIKey of 2-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-N-(pyrrolidin-2-ylmethyl)acetamide?
The InChIKey is FCOKRWCXNWIUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-3-27-19-9-10-20(21(13-19)28-4-2)16-7-8-17(24-14-16)12-22(26)25-15-18-6-5-11-23-18/h7-10,13-14,18,23H,3-6,11-12,15H2,1-2H3,(H,25,26).
What are the key properties of 2-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-N-(pyrrolidin-2-ylmethyl)acetamide?
2-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-N-(pyrrolidin-2-ylmethyl)acetamide has a molecular weight of 383.49 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-N-(pyrrolidin-2-ylmethyl)acetamide is sourced from PubChem (CID 59529213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).