(6-amino-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone

C13H19N3O — CID 83221125

IUPAC(6-amino-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
SMILESCCC1CCC(C)N1C(=O)c1ccc(N)nc1
InChIInChI=1S/C13H19N3O/c1-3-11-6-4-9(2)16(11)13(17)10-5-7-12(14)15-8-10/h5,7-9,11H,3-4,6H2,1-2H3,(H2,14,15)
InChIKeyGGZSKYOVFIGVMF-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.07
Rot. Bonds2

About (6-amino-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone

(6-amino-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone (PubChem CID 83221125) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (6-amino-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(6-amino-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
PubChem CID83221125
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(6-amino-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
SMILESCCC1CCC(C)N1C(=O)c1ccc(N)nc1
InChIInChI=1S/C13H19N3O/c1-3-11-6-4-9(2)16(11)13(17)10-5-7-12(14)15-8-10/h5,7-9,11H,3-4,6H2,1-2H3,(H2,14,15)
InChIKeyGGZSKYOVFIGVMF-UHFFFAOYSA-N
XLogP2.07
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-amino-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (6-amino-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone (CID 83221125) is (6-amino-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (6-amino-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (6-amino-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone is CCC1CCC(C)N1C(=O)c1ccc(N)nc1.
What is the InChIKey of (6-amino-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The InChIKey is GGZSKYOVFIGVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-11-6-4-9(2)16(11)13(17)10-5-7-12(14)15-8-10/h5,7-9,11H,3-4,6H2,1-2H3,(H2,14,15).
What are the key properties of (6-amino-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
(6-amino-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 83221125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).