6-amino-3-[(4-ethylphenyl)methyl]-1H-pyridin-2-one

C14H16N2O — CID 22934932

IUPAC6-amino-3-[(4-ethylphenyl)methyl]-1H-pyridin-2-one
SMILESCCc1ccc(Cc2ccc(N)[nH]c2=O)cc1
InChIInChI=1S/C14H16N2O/c1-2-10-3-5-11(6-4-10)9-12-7-8-13(15)16-14(12)17/h3-8H,2,9H2,1H3,(H3,15,16,17)
InChIKeyKBRVHHATJJDZNH-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.11
Rot. Bonds3

About 6-amino-3-[(4-ethylphenyl)methyl]-1H-pyridin-2-one

6-amino-3-[(4-ethylphenyl)methyl]-1H-pyridin-2-one (PubChem CID 22934932) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 6-amino-3-[(4-ethylphenyl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-amino-3-[(4-ethylphenyl)methyl]-1H-pyridin-2-one
PubChem CID22934932
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name6-amino-3-[(4-ethylphenyl)methyl]-1H-pyridin-2-one
SMILESCCc1ccc(Cc2ccc(N)[nH]c2=O)cc1
InChIInChI=1S/C14H16N2O/c1-2-10-3-5-11(6-4-10)9-12-7-8-13(15)16-14(12)17/h3-8H,2,9H2,1H3,(H3,15,16,17)
InChIKeyKBRVHHATJJDZNH-UHFFFAOYSA-N
XLogP2.11
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[(4-ethylphenyl)methyl]-1H-pyridin-2-one?
The IUPAC name of 6-amino-3-[(4-ethylphenyl)methyl]-1H-pyridin-2-one (CID 22934932) is 6-amino-3-[(4-ethylphenyl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-amino-3-[(4-ethylphenyl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 6-amino-3-[(4-ethylphenyl)methyl]-1H-pyridin-2-one is CCc1ccc(Cc2ccc(N)[nH]c2=O)cc1.
What is the InChIKey of 6-amino-3-[(4-ethylphenyl)methyl]-1H-pyridin-2-one?
The InChIKey is KBRVHHATJJDZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-10-3-5-11(6-4-10)9-12-7-8-13(15)16-14(12)17/h3-8H,2,9H2,1H3,(H3,15,16,17).
What are the key properties of 6-amino-3-[(4-ethylphenyl)methyl]-1H-pyridin-2-one?
6-amino-3-[(4-ethylphenyl)methyl]-1H-pyridin-2-one has a molecular weight of 228.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[(4-ethylphenyl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 22934932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).