2-(3-acetamido-2-oxo-1-pyridinyl)-N-cyclohexylacetamide

C15H21N3O3 — CID 45268244

IUPAC2-(3-acetamido-2-oxo-1-pyridinyl)-N-cyclohexylacetamide
SMILESCC(=O)Nc1cccn(CC(=O)NC2CCCCC2)c1=O
InChIInChI=1S/C15H21N3O3/c1-11(19)16-13-8-5-9-18(15(13)21)10-14(20)17-12-6-3-2-4-7-12/h5,8-9,12H,2-4,6-7,10H2,1H3,(H,16,19)(H,17,20)
InChIKeyVQWRPTGZMMMETR-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.26
Rot. Bonds4

About 2-(3-acetamido-2-oxo-1-pyridinyl)-N-cyclohexylacetamide

2-(3-acetamido-2-oxo-1-pyridinyl)-N-cyclohexylacetamide (PubChem CID 45268244) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(3-acetamido-2-oxo-1-pyridinyl)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(3-acetamido-2-oxo-1-pyridinyl)-N-cyclohexylacetamide
PubChem CID45268244
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-(3-acetamido-2-oxo-1-pyridinyl)-N-cyclohexylacetamide
SMILESCC(=O)Nc1cccn(CC(=O)NC2CCCCC2)c1=O
InChIInChI=1S/C15H21N3O3/c1-11(19)16-13-8-5-9-18(15(13)21)10-14(20)17-12-6-3-2-4-7-12/h5,8-9,12H,2-4,6-7,10H2,1H3,(H,16,19)(H,17,20)
InChIKeyVQWRPTGZMMMETR-UHFFFAOYSA-N
XLogP1.26
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-2-oxo-1-pyridinyl)-N-cyclohexylacetamide?
The IUPAC name of 2-(3-acetamido-2-oxo-1-pyridinyl)-N-cyclohexylacetamide (CID 45268244) is 2-(3-acetamido-2-oxo-1-pyridinyl)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(3-acetamido-2-oxo-1-pyridinyl)-N-cyclohexylacetamide?
The canonical SMILES for 2-(3-acetamido-2-oxo-1-pyridinyl)-N-cyclohexylacetamide is CC(=O)Nc1cccn(CC(=O)NC2CCCCC2)c1=O.
What is the InChIKey of 2-(3-acetamido-2-oxo-1-pyridinyl)-N-cyclohexylacetamide?
The InChIKey is VQWRPTGZMMMETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11(19)16-13-8-5-9-18(15(13)21)10-14(20)17-12-6-3-2-4-7-12/h5,8-9,12H,2-4,6-7,10H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 2-(3-acetamido-2-oxo-1-pyridinyl)-N-cyclohexylacetamide?
2-(3-acetamido-2-oxo-1-pyridinyl)-N-cyclohexylacetamide has a molecular weight of 291.35 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-2-oxo-1-pyridinyl)-N-cyclohexylacetamide is sourced from PubChem (CID 45268244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).