N-(3-butoxypropyl)-6-ethoxypyridine-3-carboxamide

C15H24N2O3 — CID 87002141

IUPACN-(3-butoxypropyl)-6-ethoxypyridine-3-carboxamide
SMILESCCCCOCCCNC(=O)c1ccc(OCC)nc1
InChIInChI=1S/C15H24N2O3/c1-3-5-10-19-11-6-9-16-15(18)13-7-8-14(17-12-13)20-4-2/h7-8,12H,3-6,9-11H2,1-2H3,(H,16,18)
InChIKeyPSVUPTAGYBPFOW-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.42
Rot. Bonds10

About N-(3-butoxypropyl)-6-ethoxypyridine-3-carboxamide

N-(3-butoxypropyl)-6-ethoxypyridine-3-carboxamide (PubChem CID 87002141) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(3-butoxypropyl)-6-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-6-ethoxypyridine-3-carboxamide
PubChem CID87002141
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-(3-butoxypropyl)-6-ethoxypyridine-3-carboxamide
SMILESCCCCOCCCNC(=O)c1ccc(OCC)nc1
InChIInChI=1S/C15H24N2O3/c1-3-5-10-19-11-6-9-16-15(18)13-7-8-14(17-12-13)20-4-2/h7-8,12H,3-6,9-11H2,1-2H3,(H,16,18)
InChIKeyPSVUPTAGYBPFOW-UHFFFAOYSA-N
XLogP2.42
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide
CID 18070777
N-[3-(2-methoxyethoxy)propyl]-6-phenoxypyridine-3-carboxamide
CID 87002549
6-butoxy-N-cycloheptylpyridine-3-carboxamide
CID 58368248
N-(3-ethyl-3-methylpentyl)-6-hexoxypyridine-3-carboxamide
CID 67674009
3-amino-N-(3-butoxypropyl)-4-propoxybenzamide
CID 110496597
N-(3-butoxypropyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide
CID 11304265
6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109151550
N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 102199580
N-decyl-4-ethoxybenzamide
CID 4123784
N-tert-butyl-6-ethoxypyridine-3-carboxamide
CID 47244667
6-butoxypyridine-3-carboxamide
CID 506622
N-(3-butoxypropyl)-3-hydroxy-4-iodobenzamide
CID 104627387

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-6-ethoxypyridine-3-carboxamide?
The IUPAC name of N-(3-butoxypropyl)-6-ethoxypyridine-3-carboxamide (CID 87002141) is N-(3-butoxypropyl)-6-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-(3-butoxypropyl)-6-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-(3-butoxypropyl)-6-ethoxypyridine-3-carboxamide is CCCCOCCCNC(=O)c1ccc(OCC)nc1.
What is the InChIKey of N-(3-butoxypropyl)-6-ethoxypyridine-3-carboxamide?
The InChIKey is PSVUPTAGYBPFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-5-10-19-11-6-9-16-15(18)13-7-8-14(17-12-13)20-4-2/h7-8,12H,3-6,9-11H2,1-2H3,(H,16,18).
What are the key properties of N-(3-butoxypropyl)-6-ethoxypyridine-3-carboxamide?
N-(3-butoxypropyl)-6-ethoxypyridine-3-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.42, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-6-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 87002141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).