N-[6-(3-methoxypropylamino)-3-pyridinyl]butanamide

C13H21N3O2 — CID 113010443

IUPACN-[6-(3-methoxypropylamino)-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(NCCCOC)nc1
InChIInChI=1S/C13H21N3O2/c1-3-5-13(17)16-11-6-7-12(15-10-11)14-8-4-9-18-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyMQPDSRWHTNZDIE-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.27
Rot. Bonds8

About N-[6-(3-methoxypropylamino)-3-pyridinyl]butanamide

N-[6-(3-methoxypropylamino)-3-pyridinyl]butanamide (PubChem CID 113010443) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[6-(3-methoxypropylamino)-3-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[6-(3-methoxypropylamino)-3-pyridinyl]butanamide
PubChem CID113010443
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[6-(3-methoxypropylamino)-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(NCCCOC)nc1
InChIInChI=1S/C13H21N3O2/c1-3-5-13(17)16-11-6-7-12(15-10-11)14-8-4-9-18-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyMQPDSRWHTNZDIE-UHFFFAOYSA-N
XLogP2.27
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.27
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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Related Compounds

N-[6-(3-methoxypropylamino)-3-pyridinyl]-3-phenoxypropanamide
CID 113010486
N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide
CID 28903424
4-[[5-(3-methoxypropylamino)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187377
4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
CID 113010472
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]butanamide
CID 113010701
N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butanamide
CID 113013351
4-oxo-4-[[6-(pentylamino)-3-pyridinyl]amino]butanoic acid
CID 39178036
N-[6-(butylamino)-3-pyridinyl]acetamide
CID 113009439
N-[6-(pentanoylamino)-3-pyridinyl]pentanamide
CID 649725
N-(4-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153217
N-[6-(3-methylbutylamino)-3-pyridinyl]pentanamide
CID 113015062
N-[6-(butylamino)-3-pyridinyl]-3-methylbutanamide
CID 113009445

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methoxypropylamino)-3-pyridinyl]butanamide?
The IUPAC name of N-[6-(3-methoxypropylamino)-3-pyridinyl]butanamide (CID 113010443) is N-[6-(3-methoxypropylamino)-3-pyridinyl]butanamide.
What is the SMILES notation for N-[6-(3-methoxypropylamino)-3-pyridinyl]butanamide?
The canonical SMILES for N-[6-(3-methoxypropylamino)-3-pyridinyl]butanamide is CCCC(=O)Nc1ccc(NCCCOC)nc1.
What is the InChIKey of N-[6-(3-methoxypropylamino)-3-pyridinyl]butanamide?
The InChIKey is MQPDSRWHTNZDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-5-13(17)16-11-6-7-12(15-10-11)14-8-4-9-18-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of N-[6-(3-methoxypropylamino)-3-pyridinyl]butanamide?
N-[6-(3-methoxypropylamino)-3-pyridinyl]butanamide has a molecular weight of 251.33 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methoxypropylamino)-3-pyridinyl]butanamide is sourced from PubChem (CID 113010443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).