N-butyl-6-oxo-5-phenyl-1H-pyridine-3-carboxamide

C16H18N2O2 — CID 110683747

IUPACN-butyl-6-oxo-5-phenyl-1H-pyridine-3-carboxamide
SMILESCCCCNC(=O)c1c[nH]c(=O)c(-c2ccccc2)c1
InChIInChI=1S/C16H18N2O2/c1-2-3-9-17-15(19)13-10-14(16(20)18-11-13)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyRCUOUSNPILZZJD-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.57
Rot. Bonds5

About N-butyl-6-oxo-5-phenyl-1H-pyridine-3-carboxamide

N-butyl-6-oxo-5-phenyl-1H-pyridine-3-carboxamide (PubChem CID 110683747) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-butyl-6-oxo-5-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-oxo-5-phenyl-1H-pyridine-3-carboxamide
PubChem CID110683747
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-butyl-6-oxo-5-phenyl-1H-pyridine-3-carboxamide
SMILESCCCCNC(=O)c1c[nH]c(=O)c(-c2ccccc2)c1
InChIInChI=1S/C16H18N2O2/c1-2-3-9-17-15(19)13-10-14(16(20)18-11-13)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyRCUOUSNPILZZJD-UHFFFAOYSA-N
XLogP2.57
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-6-oxo-5-phenyl-1H-pyridine-3-carboxamide
CID 110683760
N-butyl-4-phenylbenzamide
CID 3637649
N-(furan-2-ylmethyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxamide
CID 110683767
N-butyl-2-phenylbenzamide
CID 21064565
2-oxo-N-pentyl-4-phenyl-1H-pyridine-3-carboxamide
CID 110649311
N-butyl-2-hydroxy-3-phenylbenzamide
CID 8579
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
5-chloro-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 110852311
N-butyl-2,4-diphenylthiophene-3-carboxamide
CID 102375157
N-butyl-2-hydroxy-1,3-dioxoisoindole-5-carboxamide
CID 59622421
2-(6-oxo-5-phenyl-1H-pyridin-3-yl)acetic acid
CID 131870509
N-butyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852282

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-oxo-5-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-butyl-6-oxo-5-phenyl-1H-pyridine-3-carboxamide (CID 110683747) is N-butyl-6-oxo-5-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-6-oxo-5-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-butyl-6-oxo-5-phenyl-1H-pyridine-3-carboxamide is CCCCNC(=O)c1c[nH]c(=O)c(-c2ccccc2)c1.
What is the InChIKey of N-butyl-6-oxo-5-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is RCUOUSNPILZZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-3-9-17-15(19)13-10-14(16(20)18-11-13)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-butyl-6-oxo-5-phenyl-1H-pyridine-3-carboxamide?
N-butyl-6-oxo-5-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-oxo-5-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110683747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).