2-(4-anilino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide

C18H23N3O2 — CID 86302568

IUPAC2-(4-anilino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1ccc(Nc2ccccc2)cc1=O
InChIInChI=1S/C18H23N3O2/c1-14(2)8-10-19-17(22)13-21-11-9-16(12-18(21)23)20-15-6-4-3-5-7-15/h3-7,9,11-12,14,20H,8,10,13H2,1-2H3,(H,19,22)
InChIKeyASTFZUPBUNEXCT-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.75
Rot. Bonds7

About 2-(4-anilino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide

2-(4-anilino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide (PubChem CID 86302568) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(4-anilino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-anilino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide
PubChem CID86302568
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-(4-anilino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1ccc(Nc2ccccc2)cc1=O
InChIInChI=1S/C18H23N3O2/c1-14(2)8-10-19-17(22)13-21-11-9-16(12-18(21)23)20-15-6-4-3-5-7-15/h3-7,9,11-12,14,20H,8,10,13H2,1-2H3,(H,19,22)
InChIKeyASTFZUPBUNEXCT-UHFFFAOYSA-N
XLogP2.75
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-anilino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(4-anilino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide (CID 86302568) is 2-(4-anilino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(4-anilino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(4-anilino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)Cn1ccc(Nc2ccccc2)cc1=O.
What is the InChIKey of 2-(4-anilino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide?
The InChIKey is ASTFZUPBUNEXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14(2)8-10-19-17(22)13-21-11-9-16(12-18(21)23)20-15-6-4-3-5-7-15/h3-7,9,11-12,14,20H,8,10,13H2,1-2H3,(H,19,22).
What are the key properties of 2-(4-anilino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide?
2-(4-anilino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide has a molecular weight of 313.40 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anilino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 86302568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).