(2-amino-5-methyl-3-pyridinyl)-(2-ethylpyrrolidin-2-yl)methanone

C13H19N3O — CID 116608284

IUPAC(2-amino-5-methyl-3-pyridinyl)-(2-ethylpyrrolidin-2-yl)methanone
SMILESCCC1(C(=O)c2cc(C)cnc2N)CCCN1
InChIInChI=1S/C13H19N3O/c1-3-13(5-4-6-16-13)11(17)10-7-9(2)8-15-12(10)14/h7-8,16H,3-6H2,1-2H3,(H2,14,15)
InChIKeyRKAJNBYLEHKDJX-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.69
Rot. Bonds3

About (2-amino-5-methyl-3-pyridinyl)-(2-ethylpyrrolidin-2-yl)methanone

(2-amino-5-methyl-3-pyridinyl)-(2-ethylpyrrolidin-2-yl)methanone (PubChem CID 116608284) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (2-amino-5-methyl-3-pyridinyl)-(2-ethylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-methyl-3-pyridinyl)-(2-ethylpyrrolidin-2-yl)methanone
PubChem CID116608284
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(2-amino-5-methyl-3-pyridinyl)-(2-ethylpyrrolidin-2-yl)methanone
SMILESCCC1(C(=O)c2cc(C)cnc2N)CCCN1
InChIInChI=1S/C13H19N3O/c1-3-13(5-4-6-16-13)11(17)10-7-9(2)8-15-12(10)14/h7-8,16H,3-6H2,1-2H3,(H2,14,15)
InChIKeyRKAJNBYLEHKDJX-UHFFFAOYSA-N
XLogP1.69
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methyl-3-pyridinyl)-(2-ethylpyrrolidin-2-yl)methanone?
The IUPAC name of (2-amino-5-methyl-3-pyridinyl)-(2-ethylpyrrolidin-2-yl)methanone (CID 116608284) is (2-amino-5-methyl-3-pyridinyl)-(2-ethylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (2-amino-5-methyl-3-pyridinyl)-(2-ethylpyrrolidin-2-yl)methanone?
The canonical SMILES for (2-amino-5-methyl-3-pyridinyl)-(2-ethylpyrrolidin-2-yl)methanone is CCC1(C(=O)c2cc(C)cnc2N)CCCN1.
What is the InChIKey of (2-amino-5-methyl-3-pyridinyl)-(2-ethylpyrrolidin-2-yl)methanone?
The InChIKey is RKAJNBYLEHKDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-13(5-4-6-16-13)11(17)10-7-9(2)8-15-12(10)14/h7-8,16H,3-6H2,1-2H3,(H2,14,15).
What are the key properties of (2-amino-5-methyl-3-pyridinyl)-(2-ethylpyrrolidin-2-yl)methanone?
(2-amino-5-methyl-3-pyridinyl)-(2-ethylpyrrolidin-2-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methyl-3-pyridinyl)-(2-ethylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 116608284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).