2-(dimethylamino)-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]acetamide

C16H26N4O2 — CID 53185239

IUPAC2-(dimethylamino)-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]acetamide
SMILESCCOc1ccc(CN2CCC(NC(=O)CN(C)C)C2)cn1
InChIInChI=1S/C16H26N4O2/c1-4-22-16-6-5-13(9-17-16)10-20-8-7-14(11-20)18-15(21)12-19(2)3/h5-6,9,14H,4,7-8,10-12H2,1-3H3,(H,18,21)
InChIKeySFOUONQNWQVGLU-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.73
Rot. Bonds7

About 2-(dimethylamino)-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]acetamide

2-(dimethylamino)-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]acetamide (PubChem CID 53185239) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]acetamide
PubChem CID53185239
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-(dimethylamino)-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]acetamide
SMILESCCOc1ccc(CN2CCC(NC(=O)CN(C)C)C2)cn1
InChIInChI=1S/C16H26N4O2/c1-4-22-16-6-5-13(9-17-16)10-20-8-7-14(11-20)18-15(21)12-19(2)3/h5-6,9,14H,4,7-8,10-12H2,1-3H3,(H,18,21)
InChIKeySFOUONQNWQVGLU-UHFFFAOYSA-N
XLogP0.73
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]furan-3-carboxamide
CID 95107251
4-cyano-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
CID 53185237
N-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide
CID 95107295
1-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea
CID 95107286
1-cyclopentyl-3-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]urea
CID 95107233
1-ethyl-N-[(3R)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazole-3-carboxamide
CID 95107321
N-[(3S)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 95107314
5-[[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-2-methoxypyridine
CID 95107248
4-cyano-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
CID 95107205
N-[1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide
CID 113402639
1-(1-benzylpyrrolidin-3-yl)-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea
CID 55921755
2,4-difluoro-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
CID 95107187

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]acetamide (CID 53185239) is 2-(dimethylamino)-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]acetamide is CCOc1ccc(CN2CCC(NC(=O)CN(C)C)C2)cn1.
What is the InChIKey of 2-(dimethylamino)-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]acetamide?
The InChIKey is SFOUONQNWQVGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-4-22-16-6-5-13(9-17-16)10-20-8-7-14(11-20)18-15(21)12-19(2)3/h5-6,9,14H,4,7-8,10-12H2,1-3H3,(H,18,21).
What are the key properties of 2-(dimethylamino)-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]acetamide?
2-(dimethylamino)-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 306.41 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 53185239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).