5-amino-1-[3-[2-hydroxyethyl(propan-2-yl)amino]propyl]pyridin-2-one

C13H23N3O2 — CID 54996169

IUPAC5-amino-1-[3-[2-hydroxyethyl(propan-2-yl)amino]propyl]pyridin-2-one
SMILESCC(C)N(CCO)CCCn1cc(N)ccc1=O
InChIInChI=1S/C13H23N3O2/c1-11(2)15(8-9-17)6-3-7-16-10-12(14)4-5-13(16)18/h4-5,10-11,17H,3,6-9,14H2,1-2H3
InChIKeyCVXRPIFQSRSYKX-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.52
Rot. Bonds7

About 5-amino-1-[3-[2-hydroxyethyl(propan-2-yl)amino]propyl]pyridin-2-one

5-amino-1-[3-[2-hydroxyethyl(propan-2-yl)amino]propyl]pyridin-2-one (PubChem CID 54996169) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-amino-1-[3-[2-hydroxyethyl(propan-2-yl)amino]propyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[3-[2-hydroxyethyl(propan-2-yl)amino]propyl]pyridin-2-one
PubChem CID54996169
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name5-amino-1-[3-[2-hydroxyethyl(propan-2-yl)amino]propyl]pyridin-2-one
SMILESCC(C)N(CCO)CCCn1cc(N)ccc1=O
InChIInChI=1S/C13H23N3O2/c1-11(2)15(8-9-17)6-3-7-16-10-12(14)4-5-13(16)18/h4-5,10-11,17H,3,6-9,14H2,1-2H3
InChIKeyCVXRPIFQSRSYKX-UHFFFAOYSA-N
XLogP0.52
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-[2-hydroxyethyl(propan-2-yl)amino]propyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[3-[2-hydroxyethyl(propan-2-yl)amino]propyl]pyridin-2-one (CID 54996169) is 5-amino-1-[3-[2-hydroxyethyl(propan-2-yl)amino]propyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[3-[2-hydroxyethyl(propan-2-yl)amino]propyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[3-[2-hydroxyethyl(propan-2-yl)amino]propyl]pyridin-2-one is CC(C)N(CCO)CCCn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-[3-[2-hydroxyethyl(propan-2-yl)amino]propyl]pyridin-2-one?
The InChIKey is CVXRPIFQSRSYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-11(2)15(8-9-17)6-3-7-16-10-12(14)4-5-13(16)18/h4-5,10-11,17H,3,6-9,14H2,1-2H3.
What are the key properties of 5-amino-1-[3-[2-hydroxyethyl(propan-2-yl)amino]propyl]pyridin-2-one?
5-amino-1-[3-[2-hydroxyethyl(propan-2-yl)amino]propyl]pyridin-2-one has a molecular weight of 253.35 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-[2-hydroxyethyl(propan-2-yl)amino]propyl]pyridin-2-one is sourced from PubChem (CID 54996169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).