N-[6-(butylamino)-3-pyridinyl]-3-methylbutanamide

C14H23N3O — CID 113009445

IUPACN-[6-(butylamino)-3-pyridinyl]-3-methylbutanamide
SMILESCCCCNc1ccc(NC(=O)CC(C)C)cn1
InChIInChI=1S/C14H23N3O/c1-4-5-8-15-13-7-6-12(10-16-13)17-14(18)9-11(2)3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyAZKVDDIXIZESCL-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.28
Rot. Bonds7

About N-[6-(butylamino)-3-pyridinyl]-3-methylbutanamide

N-[6-(butylamino)-3-pyridinyl]-3-methylbutanamide (PubChem CID 113009445) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[6-(butylamino)-3-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[6-(butylamino)-3-pyridinyl]-3-methylbutanamide
PubChem CID113009445
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[6-(butylamino)-3-pyridinyl]-3-methylbutanamide
SMILESCCCCNc1ccc(NC(=O)CC(C)C)cn1
InChIInChI=1S/C14H23N3O/c1-4-5-8-15-13-7-6-12(10-16-13)17-14(18)9-11(2)3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyAZKVDDIXIZESCL-UHFFFAOYSA-N
XLogP3.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[6-(butylamino)-3-pyridinyl]-3-methylbutanamide 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-[6-(butylamino)-3-pyridinyl]acetamide
CID 113009439
N-[6-(3-methylbutylamino)-3-pyridinyl]pentanamide
CID 113015062
N-[6-(butylamino)pyridazin-3-yl]-3-methylbutanamide
CID 113038313
4-oxo-4-[[6-(pentylamino)-3-pyridinyl]amino]butanoic acid
CID 39178036
3-methyl-N-[4-(pentylamino)phenyl]butanamide
CID 112985181
3-methyl-N-[5-(3-phenylpropylamino)-2-pyridinyl]butanamide
CID 113029802
N-[6-(3-methoxypropylamino)-3-pyridinyl]butanamide
CID 113010443
N-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide
CID 113019664
N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]-3-methylbutanamide
CID 113012194
N-[6-(pentanoylamino)-3-pyridinyl]pentanamide
CID 649725
N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide
CID 28903424
N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide
CID 113009468

Frequently Asked Questions

What is the IUPAC name of N-[6-(butylamino)-3-pyridinyl]-3-methylbutanamide?
The IUPAC name of N-[6-(butylamino)-3-pyridinyl]-3-methylbutanamide (CID 113009445) is N-[6-(butylamino)-3-pyridinyl]-3-methylbutanamide.
What is the SMILES notation for N-[6-(butylamino)-3-pyridinyl]-3-methylbutanamide?
The canonical SMILES for N-[6-(butylamino)-3-pyridinyl]-3-methylbutanamide is CCCCNc1ccc(NC(=O)CC(C)C)cn1.
What is the InChIKey of N-[6-(butylamino)-3-pyridinyl]-3-methylbutanamide?
The InChIKey is AZKVDDIXIZESCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-5-8-15-13-7-6-12(10-16-13)17-14(18)9-11(2)3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of N-[6-(butylamino)-3-pyridinyl]-3-methylbutanamide?
N-[6-(butylamino)-3-pyridinyl]-3-methylbutanamide has a molecular weight of 249.36 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butylamino)-3-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 113009445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).