4-butoxy-N-(6-methoxy-3-pyridinyl)benzamide

C17H20N2O3 — CID 7478576

IUPAC4-butoxy-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(OC)nc2)cc1
InChIInChI=1S/C17H20N2O3/c1-3-4-11-22-15-8-5-13(6-9-15)17(20)19-14-7-10-16(21-2)18-12-14/h5-10,12H,3-4,11H2,1-2H3,(H,19,20)
InChIKeyKYOHIDMHXRWKIR-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.52
Rot. Bonds7

About 4-butoxy-N-(6-methoxy-3-pyridinyl)benzamide

4-butoxy-N-(6-methoxy-3-pyridinyl)benzamide (PubChem CID 7478576) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-butoxy-N-(6-methoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(6-methoxy-3-pyridinyl)benzamide
PubChem CID7478576
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name4-butoxy-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(OC)nc2)cc1
InChIInChI=1S/C17H20N2O3/c1-3-4-11-22-15-8-5-13(6-9-15)17(20)19-14-7-10-16(21-2)18-12-14/h5-10,12H,3-4,11H2,1-2H3,(H,19,20)
InChIKeyKYOHIDMHXRWKIR-UHFFFAOYSA-N
XLogP3.52
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-(6-chloro-3-pyridinyl)benzamide
CID 54787952
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625
N-(6-amino-3-pyridinyl)-4-(3-methoxypropoxy)benzamide
CID 119515767
N-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide
CID 101044220
3,4,5-triethoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 7478549
4-butoxy-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 41089364
sodium 4-[(4-butoxybenzoyl)amino]benzoate
CID 23690385
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
N-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyhexanamide
CID 133205912
N-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide
CID 133205936

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(6-methoxy-3-pyridinyl)benzamide?
The IUPAC name of 4-butoxy-N-(6-methoxy-3-pyridinyl)benzamide (CID 7478576) is 4-butoxy-N-(6-methoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 4-butoxy-N-(6-methoxy-3-pyridinyl)benzamide?
The canonical SMILES for 4-butoxy-N-(6-methoxy-3-pyridinyl)benzamide is CCCCOc1ccc(C(=O)Nc2ccc(OC)nc2)cc1.
What is the InChIKey of 4-butoxy-N-(6-methoxy-3-pyridinyl)benzamide?
The InChIKey is KYOHIDMHXRWKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-4-11-22-15-8-5-13(6-9-15)17(20)19-14-7-10-16(21-2)18-12-14/h5-10,12H,3-4,11H2,1-2H3,(H,19,20).
What are the key properties of 4-butoxy-N-(6-methoxy-3-pyridinyl)benzamide?
4-butoxy-N-(6-methoxy-3-pyridinyl)benzamide has a molecular weight of 300.36 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(6-methoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 7478576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).