3-(4-amino-3-pyridinyl)-1-ethoxy-1-phenylpropan-2-one

C16H18N2O2 — CID 116751778

IUPAC3-(4-amino-3-pyridinyl)-1-ethoxy-1-phenylpropan-2-one
SMILESCCOC(C(=O)Cc1cnccc1N)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-2-20-16(12-6-4-3-5-7-12)15(19)10-13-11-18-9-8-14(13)17/h3-9,11,16H,2,10H2,1H3,(H2,17,18)
InChIKeyCWJHJXZWQJJGNJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.55
Rot. Bonds6

About 3-(4-amino-3-pyridinyl)-1-ethoxy-1-phenylpropan-2-one

3-(4-amino-3-pyridinyl)-1-ethoxy-1-phenylpropan-2-one (PubChem CID 116751778) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-(4-amino-3-pyridinyl)-1-ethoxy-1-phenylpropan-2-one.

Molecular Properties

Compound Name3-(4-amino-3-pyridinyl)-1-ethoxy-1-phenylpropan-2-one
PubChem CID116751778
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-(4-amino-3-pyridinyl)-1-ethoxy-1-phenylpropan-2-one
SMILESCCOC(C(=O)Cc1cnccc1N)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-2-20-16(12-6-4-3-5-7-12)15(19)10-13-11-18-9-8-14(13)17/h3-9,11,16H,2,10H2,1H3,(H2,17,18)
InChIKeyCWJHJXZWQJJGNJ-UHFFFAOYSA-N
XLogP2.55
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxy-3-(2-methoxyphenyl)-1-phenylpropan-2-one
CID 116751795
1-(4-amino-3-pyridinyl)-3-methoxybutan-2-one
CID 79617121
3-(4-amino-3-pyridinyl)-2-phenylpropanoic acid
CID 81009067
1-ethoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-one
CID 116751593
3-(2-chloro-4-methylphenyl)-1-ethoxy-1-phenylpropan-2-one
CID 106867161
1-ethoxy-1-phenylpent-4-yn-2-one
CID 116751695
1-(4-amino-3-pyridinyl)-3-ethoxy-3-methylpentan-2-one
CID 116747071
3-(4-amino-3-pyridinyl)-1-methoxy-1-phenylpropan-2-ol
CID 116756787
ethyl 2-[(3-amino-4-pyridinyl)sulfanyl]-2-phenylacetate
CID 106676883
2-ethoxy-1,2-diphenylethanone;propane
CID 174923231
ethyl 2-methylpropanoate;isoquinoline
CID 158006464
butan-2-yl 2-ethoxy-2-phenylacetate
CID 118039785

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-pyridinyl)-1-ethoxy-1-phenylpropan-2-one?
The IUPAC name of 3-(4-amino-3-pyridinyl)-1-ethoxy-1-phenylpropan-2-one (CID 116751778) is 3-(4-amino-3-pyridinyl)-1-ethoxy-1-phenylpropan-2-one.
What is the SMILES notation for 3-(4-amino-3-pyridinyl)-1-ethoxy-1-phenylpropan-2-one?
The canonical SMILES for 3-(4-amino-3-pyridinyl)-1-ethoxy-1-phenylpropan-2-one is CCOC(C(=O)Cc1cnccc1N)c1ccccc1.
What is the InChIKey of 3-(4-amino-3-pyridinyl)-1-ethoxy-1-phenylpropan-2-one?
The InChIKey is CWJHJXZWQJJGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-20-16(12-6-4-3-5-7-12)15(19)10-13-11-18-9-8-14(13)17/h3-9,11,16H,2,10H2,1H3,(H2,17,18).
What are the key properties of 3-(4-amino-3-pyridinyl)-1-ethoxy-1-phenylpropan-2-one?
3-(4-amino-3-pyridinyl)-1-ethoxy-1-phenylpropan-2-one has a molecular weight of 270.33 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-pyridinyl)-1-ethoxy-1-phenylpropan-2-one is sourced from PubChem (CID 116751778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).