N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxamide

C21H19FN2O4 — CID 59600586

IUPACN-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1c[nH]c(CO)c(OCc2ccccc2)c1=O
InChIInChI=1S/C21H19FN2O4/c22-16-8-6-14(7-9-16)10-24-21(27)17-11-23-18(12-25)20(19(17)26)28-13-15-4-2-1-3-5-15/h1-9,11,25H,10,12-13H2,(H,23,26)(H,24,27)
InChIKeyRHQQCIJQRPEPBD-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.52
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxamide

N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxamide (PubChem CID 59600586) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxamide
PubChem CID59600586
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC NameN-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1c[nH]c(CO)c(OCc2ccccc2)c1=O
InChIInChI=1S/C21H19FN2O4/c22-16-8-6-14(7-9-16)10-24-21(27)17-11-23-18(12-25)20(19(17)26)28-13-15-4-2-1-3-5-15/h1-9,11,25H,10,12-13H2,(H,23,26)(H,24,27)
InChIKeyRHQQCIJQRPEPBD-UHFFFAOYSA-N
XLogP2.52
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid
CID 59600570
4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide
CID 60553799
5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylic acid
CID 152765811
methyl 1-amino-6-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-5-phenylmethoxypyridine-3-carboxylate
CID 130410779
N,2-bis[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide
CID 68677998
N-[(4-fluorophenyl)methyl]-2-phenylmethoxyquinoline-4-carboxamide
CID 22578001
N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide
CID 69477753
N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide
CID 67329269
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
N-benzyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]benzamide
CID 7981561
5-N-[(4-fluorophenyl)methyl]-3-methoxy-2-N-methyl-4-phenylmethoxypyridine-2,5-dicarboxamide
CID 71482107
N-[(4-fluorophenyl)methyl]-1,8-dioxo-2-(2-phenoxyethyl)-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide
CID 67310299

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxamide (CID 59600586) is N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxamide is O=C(NCc1ccc(F)cc1)c1c[nH]c(CO)c(OCc2ccccc2)c1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxamide?
The InChIKey is RHQQCIJQRPEPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4/c22-16-8-6-14(7-9-16)10-24-21(27)17-11-23-18(12-25)20(19(17)26)28-13-15-4-2-1-3-5-15/h1-9,11,25H,10,12-13H2,(H,23,26)(H,24,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxamide is sourced from PubChem (CID 59600586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).