3-chloro-N-[2-(dimethylamino)ethyl]-2-(fluoromethyl)pyridine-4-carboxamide

C11H15ClFN3O — CID 91560842

IUPAC3-chloro-N-[2-(dimethylamino)ethyl]-2-(fluoromethyl)pyridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1ccnc(CF)c1Cl
InChIInChI=1S/C11H15ClFN3O/c1-16(2)6-5-15-11(17)8-3-4-14-9(7-13)10(8)12/h3-4H,5-7H2,1-2H3,(H,15,17)
InChIKeyFNQBQQWKKZNUEL-UHFFFAOYSA-N
MW259.71 g/mol
LogP1.50
Rot. Bonds5

About 3-chloro-N-[2-(dimethylamino)ethyl]-2-(fluoromethyl)pyridine-4-carboxamide

3-chloro-N-[2-(dimethylamino)ethyl]-2-(fluoromethyl)pyridine-4-carboxamide (PubChem CID 91560842) has the molecular formula C11H15ClFN3O and a molecular weight of 259.71 g/mol. Its IUPAC name is 3-chloro-N-[2-(dimethylamino)ethyl]-2-(fluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(dimethylamino)ethyl]-2-(fluoromethyl)pyridine-4-carboxamide
PubChem CID91560842
Molecular FormulaC11H15ClFN3O
Molecular Weight259.71 g/mol
Exact Mass259.09
IUPAC Name3-chloro-N-[2-(dimethylamino)ethyl]-2-(fluoromethyl)pyridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1ccnc(CF)c1Cl
InChIInChI=1S/C11H15ClFN3O/c1-16(2)6-5-15-11(17)8-3-4-14-9(7-13)10(8)12/h3-4H,5-7H2,1-2H3,(H,15,17)
InChIKeyFNQBQQWKKZNUEL-UHFFFAOYSA-N
XLogP1.50
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(dimethylamino)ethyl]-2-(fluoromethyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[2-(dimethylamino)ethyl]-2-(fluoromethyl)pyridine-4-carboxamide (CID 91560842) is 3-chloro-N-[2-(dimethylamino)ethyl]-2-(fluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(dimethylamino)ethyl]-2-(fluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(dimethylamino)ethyl]-2-(fluoromethyl)pyridine-4-carboxamide is CN(C)CCNC(=O)c1ccnc(CF)c1Cl.
What is the InChIKey of 3-chloro-N-[2-(dimethylamino)ethyl]-2-(fluoromethyl)pyridine-4-carboxamide?
The InChIKey is FNQBQQWKKZNUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN3O/c1-16(2)6-5-15-11(17)8-3-4-14-9(7-13)10(8)12/h3-4H,5-7H2,1-2H3,(H,15,17).
What are the key properties of 3-chloro-N-[2-(dimethylamino)ethyl]-2-(fluoromethyl)pyridine-4-carboxamide?
3-chloro-N-[2-(dimethylamino)ethyl]-2-(fluoromethyl)pyridine-4-carboxamide has a molecular weight of 259.71 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(dimethylamino)ethyl]-2-(fluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 91560842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).