N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide

C25H19F3N4O3 — CID 10206050

IUPACN-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cn(-c2cccc(-c3ccc(OCC(F)(F)F)nc3)c2)c2ncccc2c1=O
InChIInChI=1S/C25H19F3N4O3/c26-25(27,28)14-35-21-9-6-16(12-30-21)15-3-1-4-18(11-15)32-13-20(24(34)31-17-7-8-17)22(33)19-5-2-10-29-23(19)32/h1-6,9-13,17H,7-8,14H2,(H,31,34)
InChIKeyCEZNZIWVRXUNOD-UHFFFAOYSA-N
MW480.45 g/mol
LogP4.28
Rot. Bonds6

About N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide

N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 10206050) has the molecular formula C25H19F3N4O3 and a molecular weight of 480.45 g/mol. Its IUPAC name is N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide
PubChem CID10206050
Molecular FormulaC25H19F3N4O3
Molecular Weight480.45 g/mol
Exact Mass480.14
IUPAC NameN-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cn(-c2cccc(-c3ccc(OCC(F)(F)F)nc3)c2)c2ncccc2c1=O
InChIInChI=1S/C25H19F3N4O3/c26-25(27,28)14-35-21-9-6-16(12-30-21)15-3-1-4-18(11-15)32-13-20(24(34)31-17-7-8-17)22(33)19-5-2-10-29-23(19)32/h1-6,9-13,17H,7-8,14H2,(H,31,34)
InChIKeyCEZNZIWVRXUNOD-UHFFFAOYSA-N
XLogP4.28
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide (CID 10206050) is N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide is O=C(NC1CC1)c1cn(-c2cccc(-c3ccc(OCC(F)(F)F)nc3)c2)c2ncccc2c1=O.
What is the InChIKey of N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is CEZNZIWVRXUNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N4O3/c26-25(27,28)14-35-21-9-6-16(12-30-21)15-3-1-4-18(11-15)32-13-20(24(34)31-17-7-8-17)22(33)19-5-2-10-29-23(19)32/h1-6,9-13,17H,7-8,14H2,(H,31,34).
What are the key properties of N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide?
N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 480.45 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-oxo-1-[3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 10206050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).