N-(2-methyl-4-pyridinyl)-4-phenoxybutanamide

C16H18N2O2 — CID 110757265

IUPACN-(2-methyl-4-pyridinyl)-4-phenoxybutanamide
SMILESCc1cc(NC(=O)CCCOc2ccccc2)ccn1
InChIInChI=1S/C16H18N2O2/c1-13-12-14(9-10-17-13)18-16(19)8-5-11-20-15-6-3-2-4-7-15/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,17,18,19)
InChIKeyJEVRWZZXNZZGPL-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.19
Rot. Bonds6

About N-(2-methyl-4-pyridinyl)-4-phenoxybutanamide

N-(2-methyl-4-pyridinyl)-4-phenoxybutanamide (PubChem CID 110757265) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(2-methyl-4-pyridinyl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(2-methyl-4-pyridinyl)-4-phenoxybutanamide
PubChem CID110757265
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-(2-methyl-4-pyridinyl)-4-phenoxybutanamide
SMILESCc1cc(NC(=O)CCCOc2ccccc2)ccn1
InChIInChI=1S/C16H18N2O2/c1-13-12-14(9-10-17-13)18-16(19)8-5-11-20-15-6-3-2-4-7-15/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,17,18,19)
InChIKeyJEVRWZZXNZZGPL-UHFFFAOYSA-N
XLogP3.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-4-pyridinyl)-2-phenoxyacetamide
CID 110756814
4-hydroxy-N-(2-methyl-4-pyridinyl)butanamide
CID 79240902
N-(2-methyl-4-pyridinyl)butanamide
CID 78910950
N-(2-methyl-4-pyridinyl)-3-oxo-3-phenylpropanamide
CID 110463363
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
N-[2-methyl-4-(propanoylamino)phenyl]-4-phenoxybutanamide
CID 131947688
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenoxybutanamide
CID 4800116
ethane;6-(2-fluorophenoxy)-N-(2-methyl-4-pyridinyl)hexanamide;molecular hydrogen;hydrofluoride
CID 144811189
N-(2-methyl-4-pyridinyl)hept-6-ynamide
CID 123868405
3-(methylamino)-N-(2-methyl-4-pyridinyl)propanamide
CID 79240940
4-phenoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 38779444
4-(2-methylphenyl)-N-(2-methyl-4-pyridinyl)-4-oxobutanamide
CID 110676277

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyridinyl)-4-phenoxybutanamide?
The IUPAC name of N-(2-methyl-4-pyridinyl)-4-phenoxybutanamide (CID 110757265) is N-(2-methyl-4-pyridinyl)-4-phenoxybutanamide.
What is the SMILES notation for N-(2-methyl-4-pyridinyl)-4-phenoxybutanamide?
The canonical SMILES for N-(2-methyl-4-pyridinyl)-4-phenoxybutanamide is Cc1cc(NC(=O)CCCOc2ccccc2)ccn1.
What is the InChIKey of N-(2-methyl-4-pyridinyl)-4-phenoxybutanamide?
The InChIKey is JEVRWZZXNZZGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-13-12-14(9-10-17-13)18-16(19)8-5-11-20-15-6-3-2-4-7-15/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,17,18,19).
What are the key properties of N-(2-methyl-4-pyridinyl)-4-phenoxybutanamide?
N-(2-methyl-4-pyridinyl)-4-phenoxybutanamide has a molecular weight of 270.33 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyridinyl)-4-phenoxybutanamide is sourced from PubChem (CID 110757265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).