N-[2-(2-chloro-6-methylphenoxy)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C16H17ClN2O3 — CID 131901362

IUPACN-[2-(2-chloro-6-methylphenoxy)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCOc2c(C)cccc2Cl)c[nH]1
InChIInChI=1S/C16H17ClN2O3/c1-10-4-3-5-13(17)15(10)22-7-6-18-16(21)12-9-19-11(2)8-14(12)20/h3-5,8-9H,6-7H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyIVKRZYHABAENBS-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.45
Rot. Bonds5

About N-[2-(2-chloro-6-methylphenoxy)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-[2-(2-chloro-6-methylphenoxy)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 131901362) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is N-[2-(2-chloro-6-methylphenoxy)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloro-6-methylphenoxy)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID131901362
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC NameN-[2-(2-chloro-6-methylphenoxy)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCOc2c(C)cccc2Cl)c[nH]1
InChIInChI=1S/C16H17ClN2O3/c1-10-4-3-5-13(17)15(10)22-7-6-18-16(21)12-9-19-11(2)8-14(12)20/h3-5,8-9H,6-7H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyIVKRZYHABAENBS-UHFFFAOYSA-N
XLogP2.45
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide
CID 104578609
N-[3-(2-methoxyethoxy)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696255
tert-butyl N-[2-(2-chloro-6-methylphenoxy)ethyl]carbamate
CID 146282130
N-(4-methoxybutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113242386
N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103804777
6-methyl-4-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide
CID 103717467
N-[2-(2,6-dimethylphenoxy)ethyl]-2-hydroxybenzamide
CID 17386421
methyl 3-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
CID 103696316
4-amino-5-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-2-methoxybenzamide
CID 119734954
N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696535
N-[2-(ethylamino)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103806326
1-chloro-2-(2-methoxyethoxy)-3-methylbenzene
CID 59177618

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6-methylphenoxy)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-chloro-6-methylphenoxy)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 131901362) is N-[2-(2-chloro-6-methylphenoxy)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-chloro-6-methylphenoxy)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-chloro-6-methylphenoxy)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCCOc2c(C)cccc2Cl)c[nH]1.
What is the InChIKey of N-[2-(2-chloro-6-methylphenoxy)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is IVKRZYHABAENBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-10-4-3-5-13(17)15(10)22-7-6-18-16(21)12-9-19-11(2)8-14(12)20/h3-5,8-9H,6-7H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(2-chloro-6-methylphenoxy)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-[2-(2-chloro-6-methylphenoxy)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 320.78 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-6-methylphenoxy)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 131901362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).