N-[(2,4-difluorophenyl)methyl]-5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)pyridine-3-carboxamide

C16H14F2N2O5 — CID 58360308

IUPACN-[(2,4-difluorophenyl)methyl]-5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1cnc(C(=O)CO)c(O)c1CO
InChIInChI=1S/C16H14F2N2O5/c17-9-2-1-8(12(18)3-9)4-20-16(25)10-5-19-14(13(23)7-22)15(24)11(10)6-21/h1-3,5,21-22,24H,4,6-7H2,(H,20,25)
InChIKeyTXKHPFHNVUVDOL-UHFFFAOYSA-N
MW352.29 g/mol
LogP0.66
Rot. Bonds6

About N-[(2,4-difluorophenyl)methyl]-5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)pyridine-3-carboxamide

N-[(2,4-difluorophenyl)methyl]-5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)pyridine-3-carboxamide (PubChem CID 58360308) has the molecular formula C16H14F2N2O5 and a molecular weight of 352.29 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)pyridine-3-carboxamide
PubChem CID58360308
Molecular FormulaC16H14F2N2O5
Molecular Weight352.29 g/mol
Exact Mass352.09
IUPAC NameN-[(2,4-difluorophenyl)methyl]-5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1cnc(C(=O)CO)c(O)c1CO
InChIInChI=1S/C16H14F2N2O5/c17-9-2-1-8(12(18)3-9)4-20-16(25)10-5-19-14(13(23)7-22)15(24)11(10)6-21/h1-3,5,21-22,24H,4,6-7H2,(H,20,25)
InChIKeyTXKHPFHNVUVDOL-UHFFFAOYSA-N
XLogP0.66
TPSA119.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81226309
4-amino-N-[(2,4-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 81239765
5-[(2,4-difluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
CID 44539902
N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115645752
1-(4-fluorophenyl)-2-[5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)-3-pyridinyl]ethanone
CID 58360304
N-[(2,4-difluorophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide
CID 171547542
N-[(2,4-difluorophenyl)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 121384946
4-bromo-N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzamide
CID 62045941
N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide
CID 62229094
2,5-dibromo-N-[(2,4-difluorophenyl)methyl]benzamide
CID 114372185
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
N-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 155823207

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)pyridine-3-carboxamide (CID 58360308) is N-[(2,4-difluorophenyl)methyl]-5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)pyridine-3-carboxamide is O=C(NCc1ccc(F)cc1F)c1cnc(C(=O)CO)c(O)c1CO.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)pyridine-3-carboxamide?
The InChIKey is TXKHPFHNVUVDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O5/c17-9-2-1-8(12(18)3-9)4-20-16(25)10-5-19-14(13(23)7-22)15(24)11(10)6-21/h1-3,5,21-22,24H,4,6-7H2,(H,20,25).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)pyridine-3-carboxamide?
N-[(2,4-difluorophenyl)methyl]-5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)pyridine-3-carboxamide has a molecular weight of 352.29 g/mol, XLogP of 0.66, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)pyridine-3-carboxamide is sourced from PubChem (CID 58360308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).