7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1-(pyridin-2-ylmethyl)-1,5-naphthyridine-3-carboxamide

C25H23FN4O4 — CID 69480292

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1-(pyridin-2-ylmethyl)-1,5-naphthyridine-3-carboxamide
SMILESCC(CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(Cc2ccccn2)c1=O
InChIInChI=1S/C25H23FN4O4/c1-15(14-31)29-24(33)21-23(32)22-20(30(25(21)34)13-19-4-2-3-9-27-19)11-17(12-28-22)10-16-5-7-18(26)8-6-16/h2-9,11-12,15,31-32H,10,13-14H2,1H3,(H,29,33)
InChIKeyRTXJUUGAEPABDM-UHFFFAOYSA-N
MW462.48 g/mol
LogP2.39
Rot. Bonds7

About 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1-(pyridin-2-ylmethyl)-1,5-naphthyridine-3-carboxamide

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1-(pyridin-2-ylmethyl)-1,5-naphthyridine-3-carboxamide (PubChem CID 69480292) has the molecular formula C25H23FN4O4 and a molecular weight of 462.48 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1-(pyridin-2-ylmethyl)-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1-(pyridin-2-ylmethyl)-1,5-naphthyridine-3-carboxamide
PubChem CID69480292
Molecular FormulaC25H23FN4O4
Molecular Weight462.48 g/mol
Exact Mass462.17
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1-(pyridin-2-ylmethyl)-1,5-naphthyridine-3-carboxamide
SMILESCC(CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(Cc2ccccn2)c1=O
InChIInChI=1S/C25H23FN4O4/c1-15(14-31)29-24(33)21-23(32)22-20(30(25(21)34)13-19-4-2-3-9-27-19)11-17(12-28-22)10-16-5-7-18(26)8-6-16/h2-9,11-12,15,31-32H,10,13-14H2,1H3,(H,29,33)
InChIKeyRTXJUUGAEPABDM-UHFFFAOYSA-N
XLogP2.39
TPSA117.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69482277
2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(1-methoxypropan-2-ylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]ethylcarbamic acid
CID 90387890
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69482221
1-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69482566
1-[(4-acetamidophenyl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69480963
1-butyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-2-hydroxypropyl]-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69480182
N-(1,3-dihydroxypropan-2-yl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide
CID 69482473
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-1-(3-methoxypropyl)-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69483077
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69480387
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-1-(1H-imidazol-5-ylmethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69482687
7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)-N-(thian-4-yl)-1,5-naphthyridine-3-carboxamide
CID 69481055
tert-butyl (3S)-3-[[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopiperidin-1-yl)ethyl]-1,5-naphthyridine-3-carbonyl]amino]butanoate
CID 86612798

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1-(pyridin-2-ylmethyl)-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1-(pyridin-2-ylmethyl)-1,5-naphthyridine-3-carboxamide (CID 69480292) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1-(pyridin-2-ylmethyl)-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1-(pyridin-2-ylmethyl)-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1-(pyridin-2-ylmethyl)-1,5-naphthyridine-3-carboxamide is CC(CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(Cc2ccccn2)c1=O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1-(pyridin-2-ylmethyl)-1,5-naphthyridine-3-carboxamide?
The InChIKey is RTXJUUGAEPABDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O4/c1-15(14-31)29-24(33)21-23(32)22-20(30(25(21)34)13-19-4-2-3-9-27-19)11-17(12-28-22)10-16-5-7-18(26)8-6-16/h2-9,11-12,15,31-32H,10,13-14H2,1H3,(H,29,33).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1-(pyridin-2-ylmethyl)-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1-(pyridin-2-ylmethyl)-1,5-naphthyridine-3-carboxamide has a molecular weight of 462.48 g/mol, XLogP of 2.39, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1-(pyridin-2-ylmethyl)-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69480292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).