6-(2-methylpropoxy)-N-[2-(propanoylamino)ethyl]pyridine-3-carboxamide

C15H23N3O3 — CID 142430003

IUPAC6-(2-methylpropoxy)-N-[2-(propanoylamino)ethyl]pyridine-3-carboxamide
SMILESCCC(=O)NCCNC(=O)c1ccc(OCC(C)C)nc1
InChIInChI=1S/C15H23N3O3/c1-4-13(19)16-7-8-17-15(20)12-5-6-14(18-9-12)21-10-11(2)3/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyPEONWIFKPUEIRB-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.37
Rot. Bonds8

About 6-(2-methylpropoxy)-N-[2-(propanoylamino)ethyl]pyridine-3-carboxamide

6-(2-methylpropoxy)-N-[2-(propanoylamino)ethyl]pyridine-3-carboxamide (PubChem CID 142430003) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-(2-methylpropoxy)-N-[2-(propanoylamino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-methylpropoxy)-N-[2-(propanoylamino)ethyl]pyridine-3-carboxamide
PubChem CID142430003
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name6-(2-methylpropoxy)-N-[2-(propanoylamino)ethyl]pyridine-3-carboxamide
SMILESCCC(=O)NCCNC(=O)c1ccc(OCC(C)C)nc1
InChIInChI=1S/C15H23N3O3/c1-4-13(19)16-7-8-17-15(20)12-5-6-14(18-9-12)21-10-11(2)3/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyPEONWIFKPUEIRB-UHFFFAOYSA-N
XLogP1.37
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.37
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 6-(2-methylpropoxy)-N-[2-(propanoylamino)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(2-methylpropoxy)-N-[2-(propanoylamino)ethyl]pyridine-3-carboxamide (CID 142430003) is 6-(2-methylpropoxy)-N-[2-(propanoylamino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-methylpropoxy)-N-[2-(propanoylamino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-methylpropoxy)-N-[2-(propanoylamino)ethyl]pyridine-3-carboxamide is CCC(=O)NCCNC(=O)c1ccc(OCC(C)C)nc1.
What is the InChIKey of 6-(2-methylpropoxy)-N-[2-(propanoylamino)ethyl]pyridine-3-carboxamide?
The InChIKey is PEONWIFKPUEIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-13(19)16-7-8-17-15(20)12-5-6-14(18-9-12)21-10-11(2)3/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of 6-(2-methylpropoxy)-N-[2-(propanoylamino)ethyl]pyridine-3-carboxamide?
6-(2-methylpropoxy)-N-[2-(propanoylamino)ethyl]pyridine-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropoxy)-N-[2-(propanoylamino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 142430003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).