2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide

C14H21N3O2 — CID 52557964

IUPAC2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
SMILESCCOCC(=O)NCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C14H21N3O2/c1-2-19-11-14(18)16-10-12-5-6-15-13(9-12)17-7-3-4-8-17/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,16,18)
InChIKeyIDHUAXYYVRUTDD-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.33
Rot. Bonds6

About 2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide

2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide (PubChem CID 52557964) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
PubChem CID52557964
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
SMILESCCOCC(=O)NCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C14H21N3O2/c1-2-19-11-14(18)16-10-12-5-6-15-13(9-12)17-7-3-4-8-17/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,16,18)
InChIKeyIDHUAXYYVRUTDD-UHFFFAOYSA-N
XLogP1.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
CID 119841392
2-(2-methoxyethylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide;dihydrochloride
CID 119841580
2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 55534225
N-ethyl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 83273482
4-amino-3-methoxy-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
CID 120595080
4-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119841403
1-(5-methyl-1H-pyrazol-3-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 154800962
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
2-(benzylcarbamoylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 37313326
1-(3-ethoxypropyl)-2-methyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine
CID 111225129
4-(2-methylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide
CID 37313546

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide (CID 52557964) is 2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide is CCOCC(=O)NCc1ccnc(N2CCCC2)c1.
What is the InChIKey of 2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide?
The InChIKey is IDHUAXYYVRUTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-19-11-14(18)16-10-12-5-6-15-13(9-12)17-7-3-4-8-17/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,16,18).
What are the key properties of 2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide?
2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide has a molecular weight of 263.34 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 52557964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).