N-[4-(5,5-dimethyl-4-pyridin-4-ylpyrrolidin-2-yl)phenyl]acetamide

C19H23N3O — CID 12621398

IUPACN-[4-(5,5-dimethyl-4-pyridin-4-ylpyrrolidin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2CC(c3ccncc3)C(C)(C)N2)cc1
InChIInChI=1S/C19H23N3O/c1-13(23)21-16-6-4-15(5-7-16)18-12-17(19(2,3)22-18)14-8-10-20-11-9-14/h4-11,17-18,22H,12H2,1-3H3,(H,21,23)
InChIKeyNDWUCEWCHKHPPH-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.64
Rot. Bonds3

About N-[4-(5,5-dimethyl-4-pyridin-4-ylpyrrolidin-2-yl)phenyl]acetamide

N-[4-(5,5-dimethyl-4-pyridin-4-ylpyrrolidin-2-yl)phenyl]acetamide (PubChem CID 12621398) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[4-(5,5-dimethyl-4-pyridin-4-ylpyrrolidin-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5,5-dimethyl-4-pyridin-4-ylpyrrolidin-2-yl)phenyl]acetamide
PubChem CID12621398
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[4-(5,5-dimethyl-4-pyridin-4-ylpyrrolidin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2CC(c3ccncc3)C(C)(C)N2)cc1
InChIInChI=1S/C19H23N3O/c1-13(23)21-16-6-4-15(5-7-16)18-12-17(19(2,3)22-18)14-8-10-20-11-9-14/h4-11,17-18,22H,12H2,1-3H3,(H,21,23)
InChIKeyNDWUCEWCHKHPPH-UHFFFAOYSA-N
XLogP3.64
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5,5-dimethyl-4-pyridin-4-ylpyrrolidin-2-yl)phenyl]acetamide?
The IUPAC name of N-[4-(5,5-dimethyl-4-pyridin-4-ylpyrrolidin-2-yl)phenyl]acetamide (CID 12621398) is N-[4-(5,5-dimethyl-4-pyridin-4-ylpyrrolidin-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(5,5-dimethyl-4-pyridin-4-ylpyrrolidin-2-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(5,5-dimethyl-4-pyridin-4-ylpyrrolidin-2-yl)phenyl]acetamide is CC(=O)Nc1ccc(C2CC(c3ccncc3)C(C)(C)N2)cc1.
What is the InChIKey of N-[4-(5,5-dimethyl-4-pyridin-4-ylpyrrolidin-2-yl)phenyl]acetamide?
The InChIKey is NDWUCEWCHKHPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-13(23)21-16-6-4-15(5-7-16)18-12-17(19(2,3)22-18)14-8-10-20-11-9-14/h4-11,17-18,22H,12H2,1-3H3,(H,21,23).
What are the key properties of N-[4-(5,5-dimethyl-4-pyridin-4-ylpyrrolidin-2-yl)phenyl]acetamide?
N-[4-(5,5-dimethyl-4-pyridin-4-ylpyrrolidin-2-yl)phenyl]acetamide has a molecular weight of 309.41 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,5-dimethyl-4-pyridin-4-ylpyrrolidin-2-yl)phenyl]acetamide is sourced from PubChem (CID 12621398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).