N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoro-3-methoxybenzamide

C16H17FN2O3 — CID 118324503

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoro-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1F
InChIInChI=1S/C16H17FN2O3/c1-9-7-10(2)19-16(21)12(9)8-18-15(20)11-5-4-6-13(22-3)14(11)17/h4-7H,8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyRXYFCYNHMPEGFX-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.07
Rot. Bonds4

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoro-3-methoxybenzamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoro-3-methoxybenzamide (PubChem CID 118324503) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoro-3-methoxybenzamide
PubChem CID118324503
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoro-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1F
InChIInChI=1S/C16H17FN2O3/c1-9-7-10(2)19-16(21)12(9)8-18-15(20)11-5-4-6-13(22-3)14(11)17/h4-7H,8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyRXYFCYNHMPEGFX-UHFFFAOYSA-N
XLogP2.07
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoro-3-methoxybenzamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoro-3-methoxybenzamide (CID 118324503) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoro-3-methoxybenzamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoro-3-methoxybenzamide is COc1cccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1F.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoro-3-methoxybenzamide?
The InChIKey is RXYFCYNHMPEGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-9-7-10(2)19-16(21)12(9)8-18-15(20)11-5-4-6-13(22-3)14(11)17/h4-7H,8H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoro-3-methoxybenzamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoro-3-methoxybenzamide has a molecular weight of 304.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoro-3-methoxybenzamide is sourced from PubChem (CID 118324503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).