N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide

C18H22FN3O2 — CID 75462001

IUPACN-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C18H22FN3O2/c1-20(2)10-11-22(13-14-4-6-16(19)7-5-14)18(24)15-8-9-21(3)17(23)12-15/h4-9,12H,10-11,13H2,1-3H3
InChIKeyVVQJBQVHTDDBEG-UHFFFAOYSA-N
MW331.39 g/mol
LogP1.73
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide

N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 75462001) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID75462001
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C18H22FN3O2/c1-20(2)10-11-22(13-14-4-6-16(19)7-5-14)18(24)15-8-9-21(3)17(23)12-15/h4-9,12H,10-11,13H2,1-3H3
InChIKeyVVQJBQVHTDDBEG-UHFFFAOYSA-N
XLogP1.73
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide (CID 75462001) is N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide is CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is VVQJBQVHTDDBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-20(2)10-11-22(13-14-4-6-16(19)7-5-14)18(24)15-8-9-21(3)17(23)12-15/h4-9,12H,10-11,13H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 75462001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).