2-amino-1-(4-propan-2-yloxy-3-pyridinyl)propan-1-one

C11H16N2O2 — CID 84676126

IUPAC2-amino-1-(4-propan-2-yloxy-3-pyridinyl)propan-1-one
SMILESCC(C)Oc1ccncc1C(=O)C(C)N
InChIInChI=1S/C11H16N2O2/c1-7(2)15-10-4-5-13-6-9(10)11(14)8(3)12/h4-8H,12H2,1-3H3
InChIKeyDMULNTWJVQJPKF-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.40
Rot. Bonds4

About 2-amino-1-(4-propan-2-yloxy-3-pyridinyl)propan-1-one

2-amino-1-(4-propan-2-yloxy-3-pyridinyl)propan-1-one (PubChem CID 84676126) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-amino-1-(4-propan-2-yloxy-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-propan-2-yloxy-3-pyridinyl)propan-1-one
PubChem CID84676126
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-amino-1-(4-propan-2-yloxy-3-pyridinyl)propan-1-one
SMILESCC(C)Oc1ccncc1C(=O)C(C)N
InChIInChI=1S/C11H16N2O2/c1-7(2)15-10-4-5-13-6-9(10)11(14)8(3)12/h4-8H,12H2,1-3H3
InChIKeyDMULNTWJVQJPKF-UHFFFAOYSA-N
XLogP1.40
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-(4-methoxy-3-pyridinyl)propan-1-one;hydrochloride
CID 178103167
methyl 4-propan-2-yloxypyridine-3-carboxylate
CID 132587581
3-methoxy-4-propan-2-yloxypyridine
CID 167334924
4-chloro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81227462
4-but-3-yn-2-yloxypyridine-3-carboxylic acid
CID 106794606
2-(3-propan-2-yloxy-4-pyridinyl)propanoic acid
CID 83884297
2-amino-1-pyrazin-2-ylpropan-1-one
CID 82594837
4-ethyl-3-propan-2-yloxypyridine
CID 123491232
2-(4-propan-2-yloxy-3-pyridinyl)propan-2-ol
CID 84666329
4-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81230238
1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-one
CID 105119933
1-(2-propan-2-yloxy-5-pyridin-3-ylphenyl)ethanone
CID 172651082

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-propan-2-yloxy-3-pyridinyl)propan-1-one?
The IUPAC name of 2-amino-1-(4-propan-2-yloxy-3-pyridinyl)propan-1-one (CID 84676126) is 2-amino-1-(4-propan-2-yloxy-3-pyridinyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(4-propan-2-yloxy-3-pyridinyl)propan-1-one?
The canonical SMILES for 2-amino-1-(4-propan-2-yloxy-3-pyridinyl)propan-1-one is CC(C)Oc1ccncc1C(=O)C(C)N.
What is the InChIKey of 2-amino-1-(4-propan-2-yloxy-3-pyridinyl)propan-1-one?
The InChIKey is DMULNTWJVQJPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7(2)15-10-4-5-13-6-9(10)11(14)8(3)12/h4-8H,12H2,1-3H3.
What are the key properties of 2-amino-1-(4-propan-2-yloxy-3-pyridinyl)propan-1-one?
2-amino-1-(4-propan-2-yloxy-3-pyridinyl)propan-1-one has a molecular weight of 208.26 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-propan-2-yloxy-3-pyridinyl)propan-1-one is sourced from PubChem (CID 84676126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).