N-tert-butyl-7-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

C24H23F3N4O4 — CID 145203114

IUPACN-tert-butyl-7-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CC(CO)CC3=O)ccc2c1=O
InChIInChI=1S/C24H23F3N4O4/c1-24(2,3)29-23(35)15-10-31(20-16(26)7-13(25)8-17(20)27)22-14(21(15)34)4-5-18(28-22)30-9-12(11-32)6-19(30)33/h4-5,7-8,10,12,32H,6,9,11H2,1-3H3,(H,29,35)
InChIKeyOXJPALDJVQQLBA-UHFFFAOYSA-N
MW488.47 g/mol
LogP2.68
Rot. Bonds4

About N-tert-butyl-7-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

N-tert-butyl-7-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 145203114) has the molecular formula C24H23F3N4O4 and a molecular weight of 488.47 g/mol. Its IUPAC name is N-tert-butyl-7-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-7-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
PubChem CID145203114
Molecular FormulaC24H23F3N4O4
Molecular Weight488.47 g/mol
Exact Mass488.17
IUPAC NameN-tert-butyl-7-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CC(CO)CC3=O)ccc2c1=O
InChIInChI=1S/C24H23F3N4O4/c1-24(2,3)29-23(35)15-10-31(20-16(26)7-13(25)8-17(20)27)22-14(21(15)34)4-5-18(28-22)30-9-12(11-32)6-19(30)33/h4-5,7-8,10,12,32H,6,9,11H2,1-3H3,(H,29,35)
InChIKeyOXJPALDJVQQLBA-UHFFFAOYSA-N
XLogP2.68
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.47
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(3,4-dihydroxypyrrolidin-1-yl)-6-fluoro-N-(2-methylbutan-2-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134360152
7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-N-(3-methylpentan-3-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134346781
7-(2,4-dioxopyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 145203063
4-oxo-7-(2-oxoimidazolidin-1-yl)-N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 135354747
7-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxylic acid
CID 135354990
7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(2,4,6-trifluorophenyl)-N-(2,3,3-trimethylbutan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 134360176
N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-oxo-7-(2-oxoimidazolidin-1-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 135354869
1-(3,5-difluoro-2-pyridinyl)-N-[(2S)-1-fluoropropan-2-yl]-7-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 155236427
N-(1,1-difluoro-2-methylpropan-2-yl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134346770
1-(3,5-difluoro-2-pyridinyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-N-(1,1,1,2,2-pentafluoropentan-3-yl)-1,8-naphthyridine-3-carboxamide
CID 134181761
7-[(4R)-2-hydroxy-4-methylimidazolidin-1-yl]-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 155051436
1-(3,5-difluoro-2-pyridinyl)-N-(3-fluorobut-3-enyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 134181765

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-7-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-7-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (CID 145203114) is N-tert-butyl-7-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-7-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-7-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is CC(C)(C)NC(=O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CC(CO)CC3=O)ccc2c1=O.
What is the InChIKey of N-tert-butyl-7-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is OXJPALDJVQQLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O4/c1-24(2,3)29-23(35)15-10-31(20-16(26)7-13(25)8-17(20)27)22-14(21(15)34)4-5-18(28-22)30-9-12(11-32)6-19(30)33/h4-5,7-8,10,12,32H,6,9,11H2,1-3H3,(H,29,35).
What are the key properties of N-tert-butyl-7-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?
N-tert-butyl-7-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 488.47 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-7-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 145203114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).