1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-propan-2-ylpyrrolidin-2-one

C15H23N3O — CID 104512703

IUPAC1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCCNc1cccc(CN2CC(C(C)C)CC2=O)n1
InChIInChI=1S/C15H23N3O/c1-4-16-14-7-5-6-13(17-14)10-18-9-12(11(2)3)8-15(18)19/h5-7,11-12H,4,8-10H2,1-3H3,(H,16,17)
InChIKeyPKVXJZPZDDGFNO-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.52
Rot. Bonds5

About 1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-propan-2-ylpyrrolidin-2-one

1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-propan-2-ylpyrrolidin-2-one (PubChem CID 104512703) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-propan-2-ylpyrrolidin-2-one
PubChem CID104512703
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCCNc1cccc(CN2CC(C(C)C)CC2=O)n1
InChIInChI=1S/C15H23N3O/c1-4-16-14-7-5-6-13(17-14)10-18-9-12(11(2)3)8-15(18)19/h5-7,11-12H,4,8-10H2,1-3H3,(H,16,17)
InChIKeyPKVXJZPZDDGFNO-UHFFFAOYSA-N
XLogP2.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-propan-2-ylpyrrolidin-2-one (CID 104512703) is 1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-propan-2-ylpyrrolidin-2-one is CCNc1cccc(CN2CC(C(C)C)CC2=O)n1.
What is the InChIKey of 1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is PKVXJZPZDDGFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-16-14-7-5-6-13(17-14)10-18-9-12(11(2)3)8-15(18)19/h5-7,11-12H,4,8-10H2,1-3H3,(H,16,17).
What are the key properties of 1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-propan-2-ylpyrrolidin-2-one?
1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 104512703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).