[1-(2-amino-4-pyridinyl)-2-oxo-3-propan-2-ylpyrrolidin-3-yl]azanium

C12H19N4O+ — CID 148895908

IUPAC[1-(2-amino-4-pyridinyl)-2-oxo-3-propan-2-ylpyrrolidin-3-yl]azanium
SMILESCC(C)C1([NH3+])CCN(c2ccnc(N)c2)C1=O
InChIInChI=1S/C12H18N4O/c1-8(2)12(14)4-6-16(11(12)17)9-3-5-15-10(13)7-9/h3,5,7-8H,4,6,14H2,1-2H3,(H2,13,15)/p+1
InChIKeyPFVYRYTZNFFMRW-UHFFFAOYSA-O
MW235.31 g/mol
LogP0.04
Rot. Bonds2

About [1-(2-amino-4-pyridinyl)-2-oxo-3-propan-2-ylpyrrolidin-3-yl]azanium

[1-(2-amino-4-pyridinyl)-2-oxo-3-propan-2-ylpyrrolidin-3-yl]azanium (PubChem CID 148895908) has the molecular formula C12H19N4O+ and a molecular weight of 235.31 g/mol. Its IUPAC name is [1-(2-amino-4-pyridinyl)-2-oxo-3-propan-2-ylpyrrolidin-3-yl]azanium.

Molecular Properties

Compound Name[1-(2-amino-4-pyridinyl)-2-oxo-3-propan-2-ylpyrrolidin-3-yl]azanium
PubChem CID148895908
Molecular FormulaC12H19N4O+
Molecular Weight235.31 g/mol
Exact Mass235.16
IUPAC Name[1-(2-amino-4-pyridinyl)-2-oxo-3-propan-2-ylpyrrolidin-3-yl]azanium
SMILESCC(C)C1([NH3+])CCN(c2ccnc(N)c2)C1=O
InChIInChI=1S/C12H18N4O/c1-8(2)12(14)4-6-16(11(12)17)9-3-5-15-10(13)7-9/h3,5,7-8H,4,6,14H2,1-2H3,(H2,13,15)/p+1
InChIKeyPFVYRYTZNFFMRW-UHFFFAOYSA-O
XLogP0.04
TPSA86.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-4-pyridinyl)-2-oxo-3-propan-2-ylpyrrolidin-3-yl]azanium?
The IUPAC name of [1-(2-amino-4-pyridinyl)-2-oxo-3-propan-2-ylpyrrolidin-3-yl]azanium (CID 148895908) is [1-(2-amino-4-pyridinyl)-2-oxo-3-propan-2-ylpyrrolidin-3-yl]azanium.
What is the SMILES notation for [1-(2-amino-4-pyridinyl)-2-oxo-3-propan-2-ylpyrrolidin-3-yl]azanium?
The canonical SMILES for [1-(2-amino-4-pyridinyl)-2-oxo-3-propan-2-ylpyrrolidin-3-yl]azanium is CC(C)C1([NH3+])CCN(c2ccnc(N)c2)C1=O.
What is the InChIKey of [1-(2-amino-4-pyridinyl)-2-oxo-3-propan-2-ylpyrrolidin-3-yl]azanium?
The InChIKey is PFVYRYTZNFFMRW-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H18N4O/c1-8(2)12(14)4-6-16(11(12)17)9-3-5-15-10(13)7-9/h3,5,7-8H,4,6,14H2,1-2H3,(H2,13,15)/p+1.
What are the key properties of [1-(2-amino-4-pyridinyl)-2-oxo-3-propan-2-ylpyrrolidin-3-yl]azanium?
[1-(2-amino-4-pyridinyl)-2-oxo-3-propan-2-ylpyrrolidin-3-yl]azanium has a molecular weight of 235.31 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-4-pyridinyl)-2-oxo-3-propan-2-ylpyrrolidin-3-yl]azanium is sourced from PubChem (CID 148895908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).