2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-fluoro-N-methylpyridine-3-carboxamide

C11H13ClFN3O2 — CID 114034158

IUPAC2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-fluoro-N-methylpyridine-3-carboxamide
SMILESCN(C)C(=O)CN(C)C(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C11H13ClFN3O2/c1-15(2)9(17)6-16(3)11(18)8-4-7(13)5-14-10(8)12/h4-5H,6H2,1-3H3
InChIKeyHTQOAXRXBARYQA-UHFFFAOYSA-N
MW273.69 g/mol
LogP1.03
Rot. Bonds3

About 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-fluoro-N-methylpyridine-3-carboxamide

2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-fluoro-N-methylpyridine-3-carboxamide (PubChem CID 114034158) has the molecular formula C11H13ClFN3O2 and a molecular weight of 273.69 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-fluoro-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-fluoro-N-methylpyridine-3-carboxamide
PubChem CID114034158
Molecular FormulaC11H13ClFN3O2
Molecular Weight273.69 g/mol
Exact Mass273.07
IUPAC Name2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-fluoro-N-methylpyridine-3-carboxamide
SMILESCN(C)C(=O)CN(C)C(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C11H13ClFN3O2/c1-15(2)9(17)6-16(3)11(18)8-4-7(13)5-14-10(8)12/h4-5H,6H2,1-3H3
InChIKeyHTQOAXRXBARYQA-UHFFFAOYSA-N
XLogP1.03
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.69
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(cyanomethyl)-5-fluoro-N-methylpyridine-3-carboxamide
CID 103892317
2-chloro-5-fluoro-N-(furan-3-ylmethyl)-N-methylpyridine-3-carboxamide
CID 114034200
2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 103893263
2-chloro-5-fluoro-N-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 103893092
2-chloro-5-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 103891558
N-butyl-2-chloro-N-ethyl-5-fluoropyridine-3-carboxamide
CID 103891528
N-[2-(dimethylamino)-2-oxoethyl]-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105380365
2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-methylpyridine-3-carboxamide
CID 103891975
5-bromo-2-chloro-N-methyl-N-(2-methylprop-2-enyl)pyridine-3-carboxamide
CID 115968474
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144
5-bromo-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyridine-3-carboxamide
CID 62000655
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-fluoropyridine-3-carboxamide
CID 103940270

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-fluoro-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-fluoro-N-methylpyridine-3-carboxamide (CID 114034158) is 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-fluoro-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-fluoro-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-fluoro-N-methylpyridine-3-carboxamide is CN(C)C(=O)CN(C)C(=O)c1cc(F)cnc1Cl.
What is the InChIKey of 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-fluoro-N-methylpyridine-3-carboxamide?
The InChIKey is HTQOAXRXBARYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN3O2/c1-15(2)9(17)6-16(3)11(18)8-4-7(13)5-14-10(8)12/h4-5H,6H2,1-3H3.
What are the key properties of 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-fluoro-N-methylpyridine-3-carboxamide?
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-fluoro-N-methylpyridine-3-carboxamide has a molecular weight of 273.69 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-fluoro-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 114034158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).