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

C18H11ClF5N3O2 — CID 135354944

IUPAC7-chloro-1-(2,6-difluorophenyl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide
SMILESCC(NC(=O)c1cn(-c2c(F)cccc2F)c2nc(Cl)ccc2c1=O)C(F)(F)F
InChIInChI=1S/C18H11ClF5N3O2/c1-8(18(22,23)24)25-17(29)10-7-27(14-11(20)3-2-4-12(14)21)16-9(15(10)28)5-6-13(19)26-16/h2-8H,1H3,(H,25,29)
InChIKeyNVFQKZKQLYECQR-UHFFFAOYSA-N
MW431.75 g/mol
LogP4.00
Rot. Bonds3

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

7-chloro-1-(2,6-difluorophenyl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide (PubChem CID 135354944) has the molecular formula C18H11ClF5N3O2 and a molecular weight of 431.75 g/mol. Its IUPAC name is 7-chloro-1-(2,6-difluorophenyl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-chloro-1-(2,6-difluorophenyl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide
PubChem CID135354944
Molecular FormulaC18H11ClF5N3O2
Molecular Weight431.75 g/mol
Exact Mass431.05
IUPAC Name7-chloro-1-(2,6-difluorophenyl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide
SMILESCC(NC(=O)c1cn(-c2c(F)cccc2F)c2nc(Cl)ccc2c1=O)C(F)(F)F
InChIInChI=1S/C18H11ClF5N3O2/c1-8(18(22,23)24)25-17(29)10-7-27(14-11(20)3-2-4-12(14)21)16-9(15(10)28)5-6-13(19)26-16/h2-8H,1H3,(H,25,29)
InChIKeyNVFQKZKQLYECQR-UHFFFAOYSA-N
XLogP4.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.75
LogP ≤ 54.00
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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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(2,6-difluorophenyl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 7-chloro-1-(2,6-difluorophenyl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide (CID 135354944) is 7-chloro-1-(2,6-difluorophenyl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-chloro-1-(2,6-difluorophenyl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 7-chloro-1-(2,6-difluorophenyl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide is CC(NC(=O)c1cn(-c2c(F)cccc2F)c2nc(Cl)ccc2c1=O)C(F)(F)F.
What is the InChIKey of 7-chloro-1-(2,6-difluorophenyl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is NVFQKZKQLYECQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF5N3O2/c1-8(18(22,23)24)25-17(29)10-7-27(14-11(20)3-2-4-12(14)21)16-9(15(10)28)5-6-13(19)26-16/h2-8H,1H3,(H,25,29).
What are the key properties of 7-chloro-1-(2,6-difluorophenyl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide?
7-chloro-1-(2,6-difluorophenyl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 431.75 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2,6-difluorophenyl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 135354944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).