7-chloro-1-(2-chloro-6-fluorophenyl)-4-oxo-N-(1,1,1-trifluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide

C19H13Cl2F4N3O2 — CID 135354802

IUPAC7-chloro-1-(2-chloro-6-fluorophenyl)-4-oxo-N-(1,1,1-trifluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide
SMILESCCC(NC(=O)c1cn(-c2c(F)cccc2Cl)c2nc(Cl)ccc2c1=O)C(F)(F)F
InChIInChI=1S/C19H13Cl2F4N3O2/c1-2-13(19(23,24)25)26-18(30)10-8-28(15-11(20)4-3-5-12(15)22)17-9(16(10)29)6-7-14(21)27-17/h3-8,13H,2H2,1H3,(H,26,30)
InChIKeyUFFSZEWKFVUSMO-UHFFFAOYSA-N
MW462.23 g/mol
LogP4.90
Rot. Bonds4

About 7-chloro-1-(2-chloro-6-fluorophenyl)-4-oxo-N-(1,1,1-trifluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide

7-chloro-1-(2-chloro-6-fluorophenyl)-4-oxo-N-(1,1,1-trifluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide (PubChem CID 135354802) has the molecular formula C19H13Cl2F4N3O2 and a molecular weight of 462.23 g/mol. Its IUPAC name is 7-chloro-1-(2-chloro-6-fluorophenyl)-4-oxo-N-(1,1,1-trifluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-chloro-1-(2-chloro-6-fluorophenyl)-4-oxo-N-(1,1,1-trifluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide
PubChem CID135354802
Molecular FormulaC19H13Cl2F4N3O2
Molecular Weight462.23 g/mol
Exact Mass461.03
IUPAC Name7-chloro-1-(2-chloro-6-fluorophenyl)-4-oxo-N-(1,1,1-trifluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide
SMILESCCC(NC(=O)c1cn(-c2c(F)cccc2Cl)c2nc(Cl)ccc2c1=O)C(F)(F)F
InChIInChI=1S/C19H13Cl2F4N3O2/c1-2-13(19(23,24)25)26-18(30)10-8-28(15-11(20)4-3-5-12(15)22)17-9(16(10)29)6-7-14(21)27-17/h3-8,13H,2H2,1H3,(H,26,30)
InChIKeyUFFSZEWKFVUSMO-UHFFFAOYSA-N
XLogP4.90
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.23
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-6-fluorophenyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-N-(1,1,1-trifluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 135354949
7-chloro-1-(2,6-difluorophenyl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 135354944
1-(2,6-difluorophenyl)-7-(3-hydroxy-2-oxopyrrolidin-1-yl)-4-oxo-N-(1,1,1-trifluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 135354921
7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 135354811
1-(2,6-difluorophenyl)-6-fluoro-7-[2-hydroxyethyl(methyl)amino]-4-oxo-N-(1,1,1-trifluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 134360166
1-(2-chloro-4,6-difluorophenyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-N-[(2S)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide
CID 134346885
ethyl 7-chloro-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 135355077
7-chloro-1-(2-chloro-6-fluorophenyl)-3-[[[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]amino]-hydroxymethyl]-1,8-naphthyridin-4-one
CID 148678374
1-(2,4-difluorophenyl)-7-(2-fluoroethylamino)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide
CID 139544003
1-(2,4-difluorophenyl)-7-(3,4-dihydroxypyrrolidin-1-yl)-4-oxo-N-(1,1,1-trifluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 155051387
1-(2,4-difluorophenyl)-7-(4-fluoro-2-methylpyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide
CID 155051253
1-(3,5-difluoro-2-pyridinyl)-7-(3-hydroxyazetidin-1-yl)-4-oxo-N-[(2S)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide
CID 134181772

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(2-chloro-6-fluorophenyl)-4-oxo-N-(1,1,1-trifluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 7-chloro-1-(2-chloro-6-fluorophenyl)-4-oxo-N-(1,1,1-trifluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide (CID 135354802) is 7-chloro-1-(2-chloro-6-fluorophenyl)-4-oxo-N-(1,1,1-trifluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-chloro-1-(2-chloro-6-fluorophenyl)-4-oxo-N-(1,1,1-trifluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 7-chloro-1-(2-chloro-6-fluorophenyl)-4-oxo-N-(1,1,1-trifluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide is CCC(NC(=O)c1cn(-c2c(F)cccc2Cl)c2nc(Cl)ccc2c1=O)C(F)(F)F.
What is the InChIKey of 7-chloro-1-(2-chloro-6-fluorophenyl)-4-oxo-N-(1,1,1-trifluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is UFFSZEWKFVUSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2F4N3O2/c1-2-13(19(23,24)25)26-18(30)10-8-28(15-11(20)4-3-5-12(15)22)17-9(16(10)29)6-7-14(21)27-17/h3-8,13H,2H2,1H3,(H,26,30).
What are the key properties of 7-chloro-1-(2-chloro-6-fluorophenyl)-4-oxo-N-(1,1,1-trifluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide?
7-chloro-1-(2-chloro-6-fluorophenyl)-4-oxo-N-(1,1,1-trifluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 462.23 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2-chloro-6-fluorophenyl)-4-oxo-N-(1,1,1-trifluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 135354802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).