3-amino-1-(2-propan-2-yloxyethyl)pyridin-4-one

C10H16N2O2 — CID 82992776

IUPAC3-amino-1-(2-propan-2-yloxyethyl)pyridin-4-one
SMILESCC(C)OCCn1ccc(=O)c(N)c1
InChIInChI=1S/C10H16N2O2/c1-8(2)14-6-5-12-4-3-10(13)9(11)7-12/h3-4,7-8H,5-6,11H2,1-2H3
InChIKeyNKHXMMGLQKXHJM-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.86
Rot. Bonds4

About 3-amino-1-(2-propan-2-yloxyethyl)pyridin-4-one

3-amino-1-(2-propan-2-yloxyethyl)pyridin-4-one (PubChem CID 82992776) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-amino-1-(2-propan-2-yloxyethyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-(2-propan-2-yloxyethyl)pyridin-4-one
PubChem CID82992776
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-amino-1-(2-propan-2-yloxyethyl)pyridin-4-one
SMILESCC(C)OCCn1ccc(=O)c(N)c1
InChIInChI=1S/C10H16N2O2/c1-8(2)14-6-5-12-4-3-10(13)9(11)7-12/h3-4,7-8H,5-6,11H2,1-2H3
InChIKeyNKHXMMGLQKXHJM-UHFFFAOYSA-N
XLogP0.86
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-propan-2-yloxyethyl)pyridin-4-one?
The IUPAC name of 3-amino-1-(2-propan-2-yloxyethyl)pyridin-4-one (CID 82992776) is 3-amino-1-(2-propan-2-yloxyethyl)pyridin-4-one.
What is the SMILES notation for 3-amino-1-(2-propan-2-yloxyethyl)pyridin-4-one?
The canonical SMILES for 3-amino-1-(2-propan-2-yloxyethyl)pyridin-4-one is CC(C)OCCn1ccc(=O)c(N)c1.
What is the InChIKey of 3-amino-1-(2-propan-2-yloxyethyl)pyridin-4-one?
The InChIKey is NKHXMMGLQKXHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8(2)14-6-5-12-4-3-10(13)9(11)7-12/h3-4,7-8H,5-6,11H2,1-2H3.
What are the key properties of 3-amino-1-(2-propan-2-yloxyethyl)pyridin-4-one?
3-amino-1-(2-propan-2-yloxyethyl)pyridin-4-one has a molecular weight of 196.25 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-propan-2-yloxyethyl)pyridin-4-one is sourced from PubChem (CID 82992776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).