2-(2-amino-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone

C15H16N2O2 — CID 115533428

IUPAC2-(2-amino-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone
SMILESCCOc1ccccc1C(=O)Cc1ccnc(N)c1
InChIInChI=1S/C15H16N2O2/c1-2-19-14-6-4-3-5-12(14)13(18)9-11-7-8-17-15(16)10-11/h3-8,10H,2,9H2,1H3,(H2,16,17)
InChIKeyPWKCWIPHKXXSOQ-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.49
Rot. Bonds5

About 2-(2-amino-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone

2-(2-amino-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone (PubChem CID 115533428) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone
PubChem CID115533428
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-(2-amino-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone
SMILESCCOc1ccccc1C(=O)Cc1ccnc(N)c1
InChIInChI=1S/C15H16N2O2/c1-2-19-14-6-4-3-5-12(14)13(18)9-11-7-8-17-15(16)10-11/h3-8,10H,2,9H2,1H3,(H2,16,17)
InChIKeyPWKCWIPHKXXSOQ-UHFFFAOYSA-N
XLogP2.49
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-1-(2-ethoxyphenyl)ethanone
CID 61056257
2-[2-(aminomethyl)phenyl]-1-(2-ethoxyphenyl)ethanone
CID 116595884
1-(2-amino-4-methoxyphenyl)-2-(2-amino-4-pyridinyl)ethanone
CID 116602379
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
3-(2-ethoxyphenyl)-3-oxopropanamide
CID 76851157
1-(3-amino-5-bromophenyl)-2-(2-amino-4-pyridinyl)ethanone
CID 116597144
2-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone
CID 115533419
2-ethoxybenzoyl bromide
CID 19426336
1-(2-ethoxyphenyl)-2-methylsulfonylethanone
CID 62784939
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
3-(2-amino-4-pyridinyl)-1,1-dimethoxypropan-2-one
CID 79492824
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone?
The IUPAC name of 2-(2-amino-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone (CID 115533428) is 2-(2-amino-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone is CCOc1ccccc1C(=O)Cc1ccnc(N)c1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone?
The InChIKey is PWKCWIPHKXXSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-19-14-6-4-3-5-12(14)13(18)9-11-7-8-17-15(16)10-11/h3-8,10H,2,9H2,1H3,(H2,16,17).
What are the key properties of 2-(2-amino-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone?
2-(2-amino-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone has a molecular weight of 256.31 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone is sourced from PubChem (CID 115533428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).