1-[2-amino-5-(morpholin-2-ylmethyl)-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one

C15H25N3O2 — CID 69411816

IUPAC1-[2-amino-5-(morpholin-2-ylmethyl)-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1C=C(CC2CNCCO2)C=CC1N
InChIInChI=1S/C15H25N3O2/c1-15(2,3)14(19)18-10-11(4-5-13(18)16)8-12-9-17-6-7-20-12/h4-5,10,12-13,17H,6-9,16H2,1-3H3
InChIKeyLOVFOOHLPLCFFF-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.98
Rot. Bonds2

About 1-[2-amino-5-(morpholin-2-ylmethyl)-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one

1-[2-amino-5-(morpholin-2-ylmethyl)-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 69411816) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2-amino-5-(morpholin-2-ylmethyl)-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-amino-5-(morpholin-2-ylmethyl)-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID69411816
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[2-amino-5-(morpholin-2-ylmethyl)-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1C=C(CC2CNCCO2)C=CC1N
InChIInChI=1S/C15H25N3O2/c1-15(2,3)14(19)18-10-11(4-5-13(18)16)8-12-9-17-6-7-20-12/h4-5,10,12-13,17H,6-9,16H2,1-3H3
InChIKeyLOVFOOHLPLCFFF-UHFFFAOYSA-N
XLogP0.98
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(morpholin-2-ylmethyl)-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-amino-5-(morpholin-2-ylmethyl)-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one (CID 69411816) is 1-[2-amino-5-(morpholin-2-ylmethyl)-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-amino-5-(morpholin-2-ylmethyl)-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-amino-5-(morpholin-2-ylmethyl)-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1C=C(CC2CNCCO2)C=CC1N.
What is the InChIKey of 1-[2-amino-5-(morpholin-2-ylmethyl)-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is LOVFOOHLPLCFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2,3)14(19)18-10-11(4-5-13(18)16)8-12-9-17-6-7-20-12/h4-5,10,12-13,17H,6-9,16H2,1-3H3.
What are the key properties of 1-[2-amino-5-(morpholin-2-ylmethyl)-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one?
1-[2-amino-5-(morpholin-2-ylmethyl)-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 279.38 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(morpholin-2-ylmethyl)-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 69411816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).