4-butoxy-N-(6-methyl-2-pyridinyl)benzamide

C17H20N2O2 — CID 3237591

IUPAC4-butoxy-N-(6-methyl-2-pyridinyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cccc(C)n2)cc1
InChIInChI=1S/C17H20N2O2/c1-3-4-12-21-15-10-8-14(9-11-15)17(20)19-16-7-5-6-13(2)18-16/h5-11H,3-4,12H2,1-2H3,(H,18,19,20)
InChIKeySPKPMRLOURXZMT-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.82
Rot. Bonds6

About 4-butoxy-N-(6-methyl-2-pyridinyl)benzamide

4-butoxy-N-(6-methyl-2-pyridinyl)benzamide (PubChem CID 3237591) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-butoxy-N-(6-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(6-methyl-2-pyridinyl)benzamide
PubChem CID3237591
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-butoxy-N-(6-methyl-2-pyridinyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cccc(C)n2)cc1
InChIInChI=1S/C17H20N2O2/c1-3-4-12-21-15-10-8-14(9-11-15)17(20)19-16-7-5-6-13(2)18-16/h5-11H,3-4,12H2,1-2H3,(H,18,19,20)
InChIKeySPKPMRLOURXZMT-UHFFFAOYSA-N
XLogP3.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-methylpyridin-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 708615
4-Methoxy-N-(3-phenyl-isoquinolin-1-yl)-benzamide
CID 10760609
N-(4-amino-5-cyano-6-ethoxypyridin-2-yl)-2-(3-methoxyphenyl)acetamide
CID 11558900
N-(4-amino-5-cyano-6-ethoxypyridin-2-yl)-2-(4-methoxyphenyl)acetamide
CID 11602291
4-methoxy-N-pyridin-2-ylbenzamide
CID 821599
4-ethoxy-N-(4-methylpyridin-2-yl)benzamide
CID 803159
4-methoxy-N-[(4-methylpyridin-2-yl)carbamoyl]benzamide
CID 1540545
3-methoxy-N-(6-methylpyridin-2-yl)benzamide
CID 585532
N-[3-cyano-4-(furan-2-yl)-6-phenylpyridin-2-yl]acetamide
CID 671422
2-[(4-methoxybenzoyl)amino]-N-(2-pyridinyl)benzamide
CID 759561
(4-Ethoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 891507
N-[6-[(3,4-dimethoxybenzoyl)amino]pyridin-2-yl]-3,4-dimethoxybenzamide
CID 1293762

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(6-methyl-2-pyridinyl)benzamide?
The IUPAC name of 4-butoxy-N-(6-methyl-2-pyridinyl)benzamide (CID 3237591) is 4-butoxy-N-(6-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-butoxy-N-(6-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-butoxy-N-(6-methyl-2-pyridinyl)benzamide is CCCCOc1ccc(C(=O)Nc2cccc(C)n2)cc1.
What is the InChIKey of 4-butoxy-N-(6-methyl-2-pyridinyl)benzamide?
The InChIKey is SPKPMRLOURXZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-4-12-21-15-10-8-14(9-11-15)17(20)19-16-7-5-6-13(2)18-16/h5-11H,3-4,12H2,1-2H3,(H,18,19,20).
What are the key properties of 4-butoxy-N-(6-methyl-2-pyridinyl)benzamide?
4-butoxy-N-(6-methyl-2-pyridinyl)benzamide has a molecular weight of 284.36 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(6-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 3237591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).