N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide

C14H22N2O2 — CID 110610244

IUPACN-(4-methoxybutyl)-4-pyridin-3-ylbutanamide
SMILESCOCCCCNC(=O)CCCc1cccnc1
InChIInChI=1S/C14H22N2O2/c1-18-11-3-2-10-16-14(17)8-4-6-13-7-5-9-15-12-13/h5,7,9,12H,2-4,6,8,10-11H2,1H3,(H,16,17)
InChIKeyFHRXIKDSAIAFBH-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.95
Rot. Bonds9

About N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide

N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide (PubChem CID 110610244) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-(4-methoxybutyl)-4-pyridin-3-ylbutanamide
PubChem CID110610244
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(4-methoxybutyl)-4-pyridin-3-ylbutanamide
SMILESCOCCCCNC(=O)CCCc1cccnc1
InChIInChI=1S/C14H22N2O2/c1-18-11-3-2-10-16-14(17)8-4-6-13-7-5-9-15-12-13/h5,7,9,12H,2-4,6,8,10-11H2,1H3,(H,16,17)
InChIKeyFHRXIKDSAIAFBH-UHFFFAOYSA-N
XLogP1.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide
CID 110408294
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
methyl N-(4-pyridin-3-ylbutyl)carbamate
CID 110661300
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide
CID 110400247
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-pyridin-3-ylbutanamide
CID 110612739
N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110416616
methyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 115174685
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
N-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110614904
3-methyl-N-(4-pyridin-3-ylbutyl)butanamide
CID 110661269
N-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3113992

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide?
The IUPAC name of N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide (CID 110610244) is N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide.
What is the SMILES notation for N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide?
The canonical SMILES for N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide is COCCCCNC(=O)CCCc1cccnc1.
What is the InChIKey of N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide?
The InChIKey is FHRXIKDSAIAFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-18-11-3-2-10-16-14(17)8-4-6-13-7-5-9-15-12-13/h5,7,9,12H,2-4,6,8,10-11H2,1H3,(H,16,17).
What are the key properties of N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide?
N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 110610244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).