1-(5-amino-2-pyridinyl)-3-(oxolan-2-yl)propan-1-one

C12H16N2O2 — CID 116605212

IUPAC1-(5-amino-2-pyridinyl)-3-(oxolan-2-yl)propan-1-one
SMILESNc1ccc(C(=O)CCC2CCCO2)nc1
InChIInChI=1S/C12H16N2O2/c13-9-3-5-11(14-8-9)12(15)6-4-10-2-1-7-16-10/h3,5,8,10H,1-2,4,6-7,13H2
InChIKeyAXYQAFFDAQUPRA-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.81
Rot. Bonds4

About 1-(5-amino-2-pyridinyl)-3-(oxolan-2-yl)propan-1-one

1-(5-amino-2-pyridinyl)-3-(oxolan-2-yl)propan-1-one (PubChem CID 116605212) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(5-amino-2-pyridinyl)-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-amino-2-pyridinyl)-3-(oxolan-2-yl)propan-1-one
PubChem CID116605212
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(5-amino-2-pyridinyl)-3-(oxolan-2-yl)propan-1-one
SMILESNc1ccc(C(=O)CCC2CCCO2)nc1
InChIInChI=1S/C12H16N2O2/c13-9-3-5-11(14-8-9)12(15)6-4-10-2-1-7-16-10/h3,5,8,10H,1-2,4,6-7,13H2
InChIKeyAXYQAFFDAQUPRA-UHFFFAOYSA-N
XLogP1.81
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 81315666
1-(3-amino-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 116550972
1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one
CID 65155022
N-(4-aminophenyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 65152624
4-(oxolan-2-yl)-1-pyrazin-2-ylbutan-1-one
CID 65167261
1-(6-methyl-3-pyridinyl)-3-(oxan-2-yl)propan-1-one
CID 114971598
6-[3-(oxolan-2-yl)propylsulfanyl]pyridin-3-amine
CID 65160816
1-(4-aminophenyl)-2-(oxolan-2-yl)ethanone
CID 65159707
1-(3-aminonaphthalen-2-yl)-3-(oxolan-2-yl)propan-1-one
CID 116560398
6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine
CID 43301504
5-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]pyridine-2-carboxamide
CID 104642487
2-(5-amino-2-pyridinyl)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 120625769

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-pyridinyl)-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-(5-amino-2-pyridinyl)-3-(oxolan-2-yl)propan-1-one (CID 116605212) is 1-(5-amino-2-pyridinyl)-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-(5-amino-2-pyridinyl)-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-(5-amino-2-pyridinyl)-3-(oxolan-2-yl)propan-1-one is Nc1ccc(C(=O)CCC2CCCO2)nc1.
What is the InChIKey of 1-(5-amino-2-pyridinyl)-3-(oxolan-2-yl)propan-1-one?
The InChIKey is AXYQAFFDAQUPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-9-3-5-11(14-8-9)12(15)6-4-10-2-1-7-16-10/h3,5,8,10H,1-2,4,6-7,13H2.
What are the key properties of 1-(5-amino-2-pyridinyl)-3-(oxolan-2-yl)propan-1-one?
1-(5-amino-2-pyridinyl)-3-(oxolan-2-yl)propan-1-one has a molecular weight of 220.27 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-pyridinyl)-3-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 116605212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).