6-(2-fluoro-5-propoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

C29H28FN3O6S — CID 121250941

IUPAC6-(2-fluoro-5-propoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCCCOc1ccc(F)c(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(Oc3c(C)cc(C)cc3C)n2)c1
InChIInChI=1S/C29H28FN3O6S/c1-5-13-38-20-8-10-23(30)22(16-20)24-11-9-21(27(34)33-40(36,37)25-7-6-12-31-28(25)35)29(32-24)39-26-18(3)14-17(2)15-19(26)4/h6-12,14-16H,5,13H2,1-4H3,(H,31,35)(H,33,34)
InChIKeyYCLVSJMOGQBTEK-UHFFFAOYSA-N
MW565.62 g/mol
LogP5.20
Rot. Bonds9

About 6-(2-fluoro-5-propoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

6-(2-fluoro-5-propoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 121250941) has the molecular formula C29H28FN3O6S and a molecular weight of 565.62 g/mol. Its IUPAC name is 6-(2-fluoro-5-propoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-fluoro-5-propoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
PubChem CID121250941
Molecular FormulaC29H28FN3O6S
Molecular Weight565.62 g/mol
Exact Mass565.17
IUPAC Name6-(2-fluoro-5-propoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCCCOc1ccc(F)c(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(Oc3c(C)cc(C)cc3C)n2)c1
InChIInChI=1S/C29H28FN3O6S/c1-5-13-38-20-8-10-23(30)22(16-20)24-11-9-21(27(34)33-40(36,37)25-7-6-12-31-28(25)35)29(32-24)39-26-18(3)14-17(2)15-19(26)4/h6-12,14-16H,5,13H2,1-4H3,(H,31,35)(H,33,34)
InChIKeyYCLVSJMOGQBTEK-UHFFFAOYSA-N
XLogP5.20
TPSA127.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.62
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(2-fluoro-5-propoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide with MolForge

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Related Compounds

N-cycloheptyl-2-[(4-fluorophenyl)methoxy]-5-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 162653908
2-(4-Phenoxyphenyl)-6-(1-(vinylsulfonyl)piperidin-4-yl)nicotinamide
CID 117977486
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 46068582
6-(3-fluoro-5-methoxyphenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 117897415
Benzamide, 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-(3-formyl-2-pyridinyl)-
CID 118325395
2-(cyclohexylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide
CID 118336010
2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide
CID 118336114
N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propan-2-yloxybenzamide
CID 118336226
N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propoxybenzamide
CID 118336228
2-cyclohexyloxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide
CID 118336232
N-(3-fluoro-4-methoxybenzyl)-5-(3-(hydroxymethyl)pyridin-2-yl)-2-isobutoxybenzamide
CID 118336240
6-(4-ethoxy-3-fluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121250495

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-5-propoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The IUPAC name of 6-(2-fluoro-5-propoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 121250941) is 6-(2-fluoro-5-propoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-fluoro-5-propoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for 6-(2-fluoro-5-propoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is CCCOc1ccc(F)c(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(Oc3c(C)cc(C)cc3C)n2)c1.
What is the InChIKey of 6-(2-fluoro-5-propoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The InChIKey is YCLVSJMOGQBTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN3O6S/c1-5-13-38-20-8-10-23(30)22(16-20)24-11-9-21(27(34)33-40(36,37)25-7-6-12-31-28(25)35)29(32-24)39-26-18(3)14-17(2)15-19(26)4/h6-12,14-16H,5,13H2,1-4H3,(H,31,35)(H,33,34).
What are the key properties of 6-(2-fluoro-5-propoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
6-(2-fluoro-5-propoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 565.62 g/mol, XLogP of 5.20, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-5-propoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121250941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).