4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide

C20H27N3O2 — CID 113010472

IUPAC4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
SMILESCOCCCNc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C20H27N3O2/c1-20(2,3)16-8-6-15(7-9-16)19(24)23-17-10-11-18(22-14-17)21-12-5-13-25-4/h6-11,14H,5,12-13H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyYLLMRBVSHYQTKW-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.08
Rot. Bonds7

About 4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide

4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide (PubChem CID 113010472) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
PubChem CID113010472
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
SMILESCOCCCNc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C20H27N3O2/c1-20(2,3)16-8-6-15(7-9-16)19(24)23-17-10-11-18(22-14-17)21-12-5-13-25-4/h6-11,14H,5,12-13H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyYLLMRBVSHYQTKW-UHFFFAOYSA-N
XLogP4.08
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide 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-(4-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153217
4-tert-butyl-N-[5-(2-methoxyethylamino)-2-pyridinyl]benzamide
CID 113025045
4-(dimethylsulfamoyl)-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
CID 113010487
methyl 4-[[6-(3-methoxypropylamino)pyridine-3-carbonyl]amino]benzoate
CID 109153220
4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide
CID 113014697
4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
CID 113010730
N-(4-ethoxyphenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153204
N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153224
N-[6-(3-methoxypropylamino)-3-pyridinyl]butanamide
CID 113010443
N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161313
N-(3-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153216
N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114181

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide (CID 113010472) is 4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide is COCCCNc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cn1.
What is the InChIKey of 4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide?
The InChIKey is YLLMRBVSHYQTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-20(2,3)16-8-6-15(7-9-16)19(24)23-17-10-11-18(22-14-17)21-12-5-13-25-4/h6-11,14H,5,12-13H2,1-4H3,(H,21,22)(H,23,24).
What are the key properties of 4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide?
4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide has a molecular weight of 341.46 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113010472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).