4-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide

C16H18FN3O3 — CID 142980506

IUPAC4-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide
SMILESCc1ccc(Nc2cc(=O)n(C)cc2C(=O)NCCO)c(F)c1
InChIInChI=1S/C16H18FN3O3/c1-10-3-4-13(12(17)7-10)19-14-8-15(22)20(2)9-11(14)16(23)18-5-6-21/h3-4,7-9,19,21H,5-6H2,1-2H3,(H,18,23)
InChIKeyJQFKUGGFFCGVNK-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.30
Rot. Bonds5

About 4-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide

4-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 142980506) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID142980506
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name4-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide
SMILESCc1ccc(Nc2cc(=O)n(C)cc2C(=O)NCCO)c(F)c1
InChIInChI=1S/C16H18FN3O3/c1-10-3-4-13(12(17)7-10)19-14-8-15(22)20(2)9-11(14)16(23)18-5-6-21/h3-4,7-9,19,21H,5-6H2,1-2H3,(H,18,23)
InChIKeyJQFKUGGFFCGVNK-UHFFFAOYSA-N
XLogP1.30
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-fluoro-4-methylanilino)-1-methyl-6-oxopyridine-3-carboxamide
CID 11482748
2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62511184
4-[2-fluoro-4-(hydroxymethyl)anilino]-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 89335310
4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 11213014
4-(4-bromo-2-fluoroanilino)-1-methyl-6-oxopyridine-3-carboxylic acid
CID 11580925
5-[(2,3-dihydroxypropylamino)sulfanylamino]-4-(2-fluoro-4-methylanilino)-1-methylpyridin-2-one;ethane
CID 143564185
2-[4-(2-fluoro-4-iodoanilino)-5-(3-hydroxypropylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid
CID 11283221
ethane;7-fluoro-6-(2-fluoro-4-methylanilino)-N-(3-hydroxypropyl)-3-methylbenzimidazole-5-carboxamide
CID 142991585
1-[[3,4-difluoro-2-(2-fluoro-4-methylanilino)benzoyl]amino]-3-(2-hydroxyethyl)urea;ethane;2-methylpropane
CID 142912634
N-(2-hydroxyethyl)-4-methyl-2-(methylamino)benzamide
CID 146655569
1-(2,3-dihydroxypropyl)-N-[4-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
CID 143564129
3-(2,3-dihydroxypropyl)-5-(2-fluoro-4-methylanilino)-8-methyl-4-methylidenepyrido[2,3-d]pyrimidin-7-one
CID 143711364

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 4-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide (CID 142980506) is 4-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide is Cc1ccc(Nc2cc(=O)n(C)cc2C(=O)NCCO)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is JQFKUGGFFCGVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-10-3-4-13(12(17)7-10)19-14-8-15(22)20(2)9-11(14)16(23)18-5-6-21/h3-4,7-9,19,21H,5-6H2,1-2H3,(H,18,23).
What are the key properties of 4-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide?
4-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 142980506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).