N-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]heptanamide

C16H26N2O3 — CID 166628651

IUPACN-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]heptanamide
SMILESCCCCCCC(=O)NCc1c(O)c(=O)cc(C)n1CC
InChIInChI=1S/C16H26N2O3/c1-4-6-7-8-9-15(20)17-11-13-16(21)14(19)10-12(3)18(13)5-2/h10,21H,4-9,11H2,1-3H3,(H,17,20)
InChIKeyCCAMIKBIAVUBQB-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.47
Rot. Bonds8

About N-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]heptanamide

N-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]heptanamide (PubChem CID 166628651) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]heptanamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]heptanamide
PubChem CID166628651
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]heptanamide
SMILESCCCCCCC(=O)NCc1c(O)c(=O)cc(C)n1CC
InChIInChI=1S/C16H26N2O3/c1-4-6-7-8-9-15(20)17-11-13-16(21)14(19)10-12(3)18(13)5-2/h10,21H,4-9,11H2,1-3H3,(H,17,20)
InChIKeyCCAMIKBIAVUBQB-UHFFFAOYSA-N
XLogP2.47
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]heptanamide?
The IUPAC name of N-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]heptanamide (CID 166628651) is N-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]heptanamide.
What is the SMILES notation for N-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]heptanamide?
The canonical SMILES for N-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]heptanamide is CCCCCCC(=O)NCc1c(O)c(=O)cc(C)n1CC.
What is the InChIKey of N-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]heptanamide?
The InChIKey is CCAMIKBIAVUBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-6-7-8-9-15(20)17-11-13-16(21)14(19)10-12(3)18(13)5-2/h10,21H,4-9,11H2,1-3H3,(H,17,20).
What are the key properties of N-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]heptanamide?
N-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]heptanamide has a molecular weight of 294.39 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]heptanamide is sourced from PubChem (CID 166628651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).