N-(4-oxobutyl)-4-pyridin-2-ylbenzamide

C16H16N2O2 — CID 86091874

IUPACN-(4-oxobutyl)-4-pyridin-2-ylbenzamide
SMILESO=CCCCNC(=O)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C16H16N2O2/c19-12-4-3-11-18-16(20)14-8-6-13(7-9-14)15-5-1-2-10-17-15/h1-2,5-10,12H,3-4,11H2,(H,18,20)
InChIKeyGDMKQIUBRBHMSZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.46
Rot. Bonds6

About N-(4-oxobutyl)-4-pyridin-2-ylbenzamide

N-(4-oxobutyl)-4-pyridin-2-ylbenzamide (PubChem CID 86091874) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(4-oxobutyl)-4-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-(4-oxobutyl)-4-pyridin-2-ylbenzamide
PubChem CID86091874
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-(4-oxobutyl)-4-pyridin-2-ylbenzamide
SMILESO=CCCCNC(=O)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C16H16N2O2/c19-12-4-3-11-18-16(20)14-8-6-13(7-9-14)15-5-1-2-10-17-15/h1-2,5-10,12H,3-4,11H2,(H,18,20)
InChIKeyGDMKQIUBRBHMSZ-UHFFFAOYSA-N
XLogP2.46
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-4-pyridin-2-ylbenzamide
CID 110464861
N-(2-amino-2-oxoethyl)-4-pyridin-2-ylbenzamide
CID 110473912
N-methyl-4-pyridin-2-ylbenzamide
CID 110464841
N-(9-oxononyl)pyridine-2-carboxamide
CID 130335282
N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 31658784
N-[4-(2,4-dihydro-1H-benzo[f]isoquinolin-3-yl)butyl]-4-pyridin-2-ylbenzamide
CID 15428489
N-propan-2-yl-4-pyridin-2-ylbenzamide
CID 59672619
N-(11-hydroxyundecyl)-6-pyridin-2-ylpyridine-3-carboxamide
CID 10361759
N-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-pyridin-2-ylbenzamide
CID 20666700
N-[3-(prop-2-enoylamino)propyl]-6-pyridin-2-ylpyridine-3-carboxamide
CID 175378165
4-phenyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588347
N-(4-hydroxybutyl)-2-pyridin-2-ylpyridine-4-carboxamide
CID 10149325

Frequently Asked Questions

What is the IUPAC name of N-(4-oxobutyl)-4-pyridin-2-ylbenzamide?
The IUPAC name of N-(4-oxobutyl)-4-pyridin-2-ylbenzamide (CID 86091874) is N-(4-oxobutyl)-4-pyridin-2-ylbenzamide.
What is the SMILES notation for N-(4-oxobutyl)-4-pyridin-2-ylbenzamide?
The canonical SMILES for N-(4-oxobutyl)-4-pyridin-2-ylbenzamide is O=CCCCNC(=O)c1ccc(-c2ccccn2)cc1.
What is the InChIKey of N-(4-oxobutyl)-4-pyridin-2-ylbenzamide?
The InChIKey is GDMKQIUBRBHMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-12-4-3-11-18-16(20)14-8-6-13(7-9-14)15-5-1-2-10-17-15/h1-2,5-10,12H,3-4,11H2,(H,18,20).
What are the key properties of N-(4-oxobutyl)-4-pyridin-2-ylbenzamide?
N-(4-oxobutyl)-4-pyridin-2-ylbenzamide has a molecular weight of 268.32 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxobutyl)-4-pyridin-2-ylbenzamide is sourced from PubChem (CID 86091874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).