2-amino-4-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one

C15H23N3O — CID 43579561

IUPAC2-amino-4-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one
SMILESCC(C)CC(N)C(=O)N1CCCC1c1ccncc1
InChIInChI=1S/C15H23N3O/c1-11(2)10-13(16)15(19)18-9-3-4-14(18)12-5-7-17-8-6-12/h5-8,11,13-14H,3-4,9-10,16H2,1-2H3
InChIKeyRPHBTRLMTZEHCJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.12
Rot. Bonds4

About 2-amino-4-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one

2-amino-4-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one (PubChem CID 43579561) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-amino-4-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-4-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one
PubChem CID43579561
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-amino-4-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one
SMILESCC(C)CC(N)C(=O)N1CCCC1c1ccncc1
InChIInChI=1S/C15H23N3O/c1-11(2)10-13(16)15(19)18-9-3-4-14(18)12-5-7-17-8-6-12/h5-8,11,13-14H,3-4,9-10,16H2,1-2H3
InChIKeyRPHBTRLMTZEHCJ-UHFFFAOYSA-N
XLogP2.12
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one?
The IUPAC name of 2-amino-4-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one (CID 43579561) is 2-amino-4-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one.
What is the SMILES notation for 2-amino-4-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one?
The canonical SMILES for 2-amino-4-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one is CC(C)CC(N)C(=O)N1CCCC1c1ccncc1.
What is the InChIKey of 2-amino-4-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one?
The InChIKey is RPHBTRLMTZEHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(2)10-13(16)15(19)18-9-3-4-14(18)12-5-7-17-8-6-12/h5-8,11,13-14H,3-4,9-10,16H2,1-2H3.
What are the key properties of 2-amino-4-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one?
2-amino-4-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one is sourced from PubChem (CID 43579561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).