2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide

C19H22N4O2 — CID 99696681

IUPAC2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1
InChIInChI=1S/C19H22N4O2/c1-14(24)21-16-7-5-15(6-8-16)12-19(25)22-17-9-11-23(13-17)18-4-2-3-10-20-18/h2-8,10,17H,9,11-13H2,1H3,(H,21,24)(H,22,25)/t17-/m1/s1
InChIKeyNBWOILJWEHTRAD-QGZVFWFLSA-N
MW338.41 g/mol
LogP1.98
Rot. Bonds5

About 2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide

2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide (PubChem CID 99696681) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
PubChem CID99696681
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1
InChIInChI=1S/C19H22N4O2/c1-14(24)21-16-7-5-15(6-8-16)12-19(25)22-17-9-11-23(13-17)18-4-2-3-10-20-18/h2-8,10,17H,9,11-13H2,1H3,(H,21,24)(H,22,25)/t17-/m1/s1
InChIKeyNBWOILJWEHTRAD-QGZVFWFLSA-N
XLogP1.98
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 99713321
1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621421
3-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621285
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
3-hydroxy-3-phenyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)butanamide
CID 110026123
ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 91102074
3-cyclohexyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621185
2-(1-hydroxycyclohexyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 97241202
(3S)-N-(4-fluorophenyl)-3-[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]butanamide
CID 124515076
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-2-thiophen-3-ylacetamide
CID 124573434
3-(3-chloro-4-fluorophenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]propanamide
CID 99875625

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide (CID 99696681) is 2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide is CC(=O)Nc1ccc(CC(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide?
The InChIKey is NBWOILJWEHTRAD-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14(24)21-16-7-5-15(6-8-16)12-19(25)22-17-9-11-23(13-17)18-4-2-3-10-20-18/h2-8,10,17H,9,11-13H2,1H3,(H,21,24)(H,22,25)/t17-/m1/s1.
What are the key properties of 2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide?
2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 99696681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).