N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide

C16H17ClN2O3 — CID 47067363

IUPACN-[3-(4-chlorophenoxy)propyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCN(CCCOc1ccc(Cl)cc1)C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C16H17ClN2O3/c1-19(16(21)14-4-2-9-18-15(14)20)10-3-11-22-13-7-5-12(17)6-8-13/h2,4-9H,3,10-11H2,1H3,(H,18,20)
InChIKeyVEQNMBIKHJHBAS-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.57
Rot. Bonds6

About N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide

N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 47067363) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenoxy)propyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID47067363
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC NameN-[3-(4-chlorophenoxy)propyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCN(CCCOc1ccc(Cl)cc1)C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C16H17ClN2O3/c1-19(16(21)14-4-2-9-18-15(14)20)10-3-11-22-13-7-5-12(17)6-8-13/h2,4-9H,3,10-11H2,1H3,(H,18,20)
InChIKeyVEQNMBIKHJHBAS-UHFFFAOYSA-N
XLogP2.57
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.57
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-[3-(4-chlorophenoxy)propyl]-N-methyl-1,3-benzodioxole-4-carboxamide
CID 55898097
N-[2-(4-chlorophenoxy)ethyl]-N,2,3-trimethylbenzamide
CID 112792732
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide
CID 47074782
N-[2-(4-chlorophenoxy)ethyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 112792660
N-[3-(4-chlorophenoxy)propyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide
CID 55898733
[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8550605
N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119739919
3-[3-(4-chlorophenoxy)-3-methylbutanoyl]-1H-pyridin-2-one
CID 71389357
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 27795601
3-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 66482556
N-methyl-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide
CID 55168297
3-[3-(4-chlorophenoxy)propyl-methylamino]propanoic acid
CID 19816774

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 47067363) is N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide is CN(CCCOc1ccc(Cl)cc1)C(=O)c1ccc[nH]c1=O.
What is the InChIKey of N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is VEQNMBIKHJHBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-19(16(21)14-4-2-9-18-15(14)20)10-3-11-22-13-7-5-12(17)6-8-13/h2,4-9H,3,10-11H2,1H3,(H,18,20).
What are the key properties of N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 320.78 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47067363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).