[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone

C15H23N3O — CID 72904462

IUPAC[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone
SMILESCCC[C@H]1CN(C(=O)c2cc(C)nc(C)c2)C[C@@H]1N
InChIInChI=1S/C15H23N3O/c1-4-5-12-8-18(9-14(12)16)15(19)13-6-10(2)17-11(3)7-13/h6-7,12,14H,4-5,8-9,16H2,1-3H3/t12-,14-/m0/s1
InChIKeyHLTZCAWSGVWIPS-JSGCOSHPSA-N
MW261.37 g/mol
LogP1.90
Rot. Bonds3

About [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone

[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone (PubChem CID 72904462) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone
PubChem CID72904462
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone
SMILESCCC[C@H]1CN(C(=O)c2cc(C)nc(C)c2)C[C@@H]1N
InChIInChI=1S/C15H23N3O/c1-4-5-12-8-18(9-14(12)16)15(19)13-6-10(2)17-11(3)7-13/h6-7,12,14H,4-5,8-9,16H2,1-3H3/t12-,14-/m0/s1
InChIKeyHLTZCAWSGVWIPS-JSGCOSHPSA-N
XLogP1.90
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone?
The IUPAC name of [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone (CID 72904462) is [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone.
What is the SMILES notation for [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone?
The canonical SMILES for [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone is CCC[C@H]1CN(C(=O)c2cc(C)nc(C)c2)C[C@@H]1N.
What is the InChIKey of [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone?
The InChIKey is HLTZCAWSGVWIPS-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-5-12-8-18(9-14(12)16)15(19)13-6-10(2)17-11(3)7-13/h6-7,12,14H,4-5,8-9,16H2,1-3H3/t12-,14-/m0/s1.
What are the key properties of [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone?
[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone has a molecular weight of 261.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone is sourced from PubChem (CID 72904462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).