7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide

C19H12ClF5N4O2 — CID 134181342

IUPAC7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(N[C@H](C1CC1)C(F)(F)F)c1cn(-c2ncc(F)cc2F)c2nc(Cl)ccc2c1=O
InChIInChI=1S/C19H12ClF5N4O2/c20-13-4-3-10-14(30)11(18(31)28-15(8-1-2-8)19(23,24)25)7-29(16(10)27-13)17-12(22)5-9(21)6-26-17/h3-8,15H,1-2H2,(H,28,31)/t15-/m1/s1
InChIKeyXOUUOLGEDFKUOU-OAHLLOKOSA-N
MW458.77 g/mol
LogP3.78
Rot. Bonds4

About 7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide

7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 134181342) has the molecular formula C19H12ClF5N4O2 and a molecular weight of 458.77 g/mol. Its IUPAC name is 7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID134181342
Molecular FormulaC19H12ClF5N4O2
Molecular Weight458.77 g/mol
Exact Mass458.06
IUPAC Name7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(N[C@H](C1CC1)C(F)(F)F)c1cn(-c2ncc(F)cc2F)c2nc(Cl)ccc2c1=O
InChIInChI=1S/C19H12ClF5N4O2/c20-13-4-3-10-14(30)11(18(31)28-15(8-1-2-8)19(23,24)25)7-29(16(10)27-13)17-12(22)5-9(21)6-26-17/h3-8,15H,1-2H2,(H,28,31)/t15-/m1/s1
InChIKeyXOUUOLGEDFKUOU-OAHLLOKOSA-N
XLogP3.78
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.77
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide (CID 134181342) is 7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide is O=C(N[C@H](C1CC1)C(F)(F)F)c1cn(-c2ncc(F)cc2F)c2nc(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is XOUUOLGEDFKUOU-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H12ClF5N4O2/c20-13-4-3-10-14(30)11(18(31)28-15(8-1-2-8)19(23,24)25)7-29(16(10)27-13)17-12(22)5-9(21)6-26-17/h3-8,15H,1-2H2,(H,28,31)/t15-/m1/s1.
What are the key properties of 7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 458.77 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 134181342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).