N-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide

C17H21N3O2 — CID 113009462

IUPACN-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide
SMILESCCCCNc1ccc(NC(=O)c2ccccc2OC)cn1
InChIInChI=1S/C17H21N3O2/c1-3-4-11-18-16-10-9-13(12-19-16)20-17(21)14-7-5-6-8-15(14)22-2/h5-10,12H,3-4,11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyIHBJEASAQNYMNV-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.55
Rot. Bonds7

About N-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide

N-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide (PubChem CID 113009462) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide
PubChem CID113009462
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide
SMILESCCCCNc1ccc(NC(=O)c2ccccc2OC)cn1
InChIInChI=1S/C17H21N3O2/c1-3-4-11-18-16-10-9-13(12-19-16)20-17(21)14-7-5-6-8-15(14)22-2/h5-10,12H,3-4,11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyIHBJEASAQNYMNV-UHFFFAOYSA-N
XLogP3.55
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.55
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

2-chloro-N-[6-(pentylamino)-3-pyridinyl]benzamide
CID 113015233
2-methoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide
CID 113044650
N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113009463
3,4,5-trimethoxy-N-[6-(pentylamino)-3-pyridinyl]benzamide
CID 113015219
N-[6-(tert-butylamino)-3-pyridinyl]-2-methoxybenzamide
CID 113014776
N-[6-(butylamino)-3-pyridinyl]acetamide
CID 113009439
N-[6-(4-ethylanilino)-3-pyridinyl]-2-methoxybenzamide
CID 113017463
N-[4-(butylcarbamoyl)phenyl]-2-methoxybenzamide
CID 17195196
2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016337
N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide
CID 113009468
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-methoxybenzamide
CID 113020950
N-[4-[2-(butylamino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 9401212

Frequently Asked Questions

What is the IUPAC name of N-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide?
The IUPAC name of N-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide (CID 113009462) is N-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide.
What is the SMILES notation for N-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide?
The canonical SMILES for N-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide is CCCCNc1ccc(NC(=O)c2ccccc2OC)cn1.
What is the InChIKey of N-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide?
The InChIKey is IHBJEASAQNYMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-4-11-18-16-10-9-13(12-19-16)20-17(21)14-7-5-6-8-15(14)22-2/h5-10,12H,3-4,11H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide?
N-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide has a molecular weight of 299.37 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide is sourced from PubChem (CID 113009462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).