(5-amino-2-pyridinyl)-(4-ethylphenyl)methanone

C14H14N2O — CID 116605339

IUPAC(5-amino-2-pyridinyl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2ccc(N)cn2)cc1
InChIInChI=1S/C14H14N2O/c1-2-10-3-5-11(6-4-10)14(17)13-8-7-12(15)9-16-13/h3-9H,2,15H2,1H3
InChIKeyRGBZGPLBEUWHTG-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.46
Rot. Bonds3

About (5-amino-2-pyridinyl)-(4-ethylphenyl)methanone

(5-amino-2-pyridinyl)-(4-ethylphenyl)methanone (PubChem CID 116605339) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is (5-amino-2-pyridinyl)-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name(5-amino-2-pyridinyl)-(4-ethylphenyl)methanone
PubChem CID116605339
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name(5-amino-2-pyridinyl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2ccc(N)cn2)cc1
InChIInChI=1S/C14H14N2O/c1-2-10-3-5-11(6-4-10)14(17)13-8-7-12(15)9-16-13/h3-9H,2,15H2,1H3
InChIKeyRGBZGPLBEUWHTG-UHFFFAOYSA-N
XLogP2.46
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-amino-2-pyridinyl)-(4-ethylphenyl)methanone?
The IUPAC name of (5-amino-2-pyridinyl)-(4-ethylphenyl)methanone (CID 116605339) is (5-amino-2-pyridinyl)-(4-ethylphenyl)methanone.
What is the SMILES notation for (5-amino-2-pyridinyl)-(4-ethylphenyl)methanone?
The canonical SMILES for (5-amino-2-pyridinyl)-(4-ethylphenyl)methanone is CCc1ccc(C(=O)c2ccc(N)cn2)cc1.
What is the InChIKey of (5-amino-2-pyridinyl)-(4-ethylphenyl)methanone?
The InChIKey is RGBZGPLBEUWHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-2-10-3-5-11(6-4-10)14(17)13-8-7-12(15)9-16-13/h3-9H,2,15H2,1H3.
What are the key properties of (5-amino-2-pyridinyl)-(4-ethylphenyl)methanone?
(5-amino-2-pyridinyl)-(4-ethylphenyl)methanone has a molecular weight of 226.28 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-pyridinyl)-(4-ethylphenyl)methanone is sourced from PubChem (CID 116605339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).