7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

C22H21F3N4O4 — CID 155051431

IUPAC7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
SMILESNC(=O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CCC(CO)(CO)CC3)ccc2c1=O
InChIInChI=1S/C22H21F3N4O4/c23-12-7-15(24)18(16(25)8-12)29-9-14(20(26)33)19(32)13-1-2-17(27-21(13)29)28-5-3-22(10-30,11-31)4-6-28/h1-2,7-9,30-31H,3-6,10-11H2,(H2,26,33)
InChIKeyKWDRNJLUVDGAPZ-UHFFFAOYSA-N
MW462.43 g/mol
LogP1.47
Rot. Bonds5

About 7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 155051431) has the molecular formula C22H21F3N4O4 and a molecular weight of 462.43 g/mol. Its IUPAC name is 7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
PubChem CID155051431
Molecular FormulaC22H21F3N4O4
Molecular Weight462.43 g/mol
Exact Mass462.15
IUPAC Name7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
SMILESNC(=O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CCC(CO)(CO)CC3)ccc2c1=O
InChIInChI=1S/C22H21F3N4O4/c23-12-7-15(24)18(16(25)8-12)29-9-14(20(26)33)19(32)13-1-2-17(27-21(13)29)28-5-3-22(10-30,11-31)4-6-28/h1-2,7-9,30-31H,3-6,10-11H2,(H2,26,33)
InChIKeyKWDRNJLUVDGAPZ-UHFFFAOYSA-N
XLogP1.47
TPSA121.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.43
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

7-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 145203131
7-[3,3-bis(hydroxymethyl)azetidin-1-yl]-6-fluoro-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134360094
7-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxylic acid
CID 135354990
2-[[6-carbamoyl-5-oxo-8-(2,4,6-trifluorophenyl)-1,8-naphthyridin-2-yl]-methylamino]acetic acid
CID 155051446
ethyl 1-(2,4-difluorophenyl)-7-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate
CID 139562602
7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-6-fluoro-4-oxo-N-(1,1,3,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 175386185
6-fluoro-4-oxo-7-piperazin-1-yl-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134359952
1-(3,5-difluoro-2-pyridinyl)-7-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 139367758
1-(2,4-difluorophenyl)-7-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-3-[2-(3-tricyclo[4.3.1.13,8]undecanyl)acetyl]-1,8-naphthyridin-4-one
CID 159746976
ethyl 1-(2,4-difluorophenyl)-7-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 139562601
6-fluoro-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-7-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134360126
N-tert-butyl-7-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 145203114

Frequently Asked Questions

What is the IUPAC name of 7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (CID 155051431) is 7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is NC(=O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CCC(CO)(CO)CC3)ccc2c1=O.
What is the InChIKey of 7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is KWDRNJLUVDGAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O4/c23-12-7-15(24)18(16(25)8-12)29-9-14(20(26)33)19(32)13-1-2-17(27-21(13)29)28-5-3-22(10-30,11-31)4-6-28/h1-2,7-9,30-31H,3-6,10-11H2,(H2,26,33).
What are the key properties of 7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?
7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 462.43 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 155051431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).