N-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-(4-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C23H23FN2O4 — CID 166221718

IUPACN-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-(4-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(=O)NCC(CO)Cc2ccccc2F)cc1-c1ccc(O)cc1
InChIInChI=1S/C23H23FN2O4/c1-14-19(16-6-8-18(28)9-7-16)11-20(23(30)26-14)22(29)25-12-15(13-27)10-17-4-2-3-5-21(17)24/h2-9,11,15,27-28H,10,12-13H2,1H3,(H,25,29)(H,26,30)
InChIKeyAYKOSAGUBYYMAA-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.78
Rot. Bonds7

About N-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-(4-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide

N-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-(4-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 166221718) has the molecular formula C23H23FN2O4 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-(4-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-(4-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID166221718
Molecular FormulaC23H23FN2O4
Molecular Weight410.45 g/mol
Exact Mass410.16
IUPAC NameN-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-(4-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(=O)NCC(CO)Cc2ccccc2F)cc1-c1ccc(O)cc1
InChIInChI=1S/C23H23FN2O4/c1-14-19(16-6-8-18(28)9-7-16)11-20(23(30)26-14)22(29)25-12-15(13-27)10-17-4-2-3-5-21(17)24/h2-9,11,15,27-28H,10,12-13H2,1H3,(H,25,29)(H,26,30)
InChIKeyAYKOSAGUBYYMAA-UHFFFAOYSA-N
XLogP2.78
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-(4-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-(4-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 166221718) is N-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-(4-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-(4-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-(4-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1[nH]c(=O)c(C(=O)NCC(CO)Cc2ccccc2F)cc1-c1ccc(O)cc1.
What is the InChIKey of N-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-(4-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is AYKOSAGUBYYMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4/c1-14-19(16-6-8-18(28)9-7-16)11-20(23(30)26-14)22(29)25-12-15(13-27)10-17-4-2-3-5-21(17)24/h2-9,11,15,27-28H,10,12-13H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-(4-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-(4-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 2.78, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-(4-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 166221718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).