N-[6-(2,4-dihydroxybutoxy)-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide

C25H23F5N4O4 — CID 121257587

IUPACN-[6-(2,4-dihydroxybutoxy)-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide
SMILESO=C(Nc1cccc(OCC(O)CCO)n1)N1CCC(F)(F)c2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C25H23F5N4O4/c26-24(27)10-11-34(23(37)33-20-5-2-6-21(32-20)38-14-17(36)9-12-35)22-18(24)7-8-19(31-22)15-3-1-4-16(13-15)25(28,29)30/h1-8,13,17,35-36H,9-12,14H2,(H,32,33,37)
InChIKeyXAUJLCWTROFQJW-UHFFFAOYSA-N
MW538.47 g/mol
LogP4.82
Rot. Bonds7

About N-[6-(2,4-dihydroxybutoxy)-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide

N-[6-(2,4-dihydroxybutoxy)-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide (PubChem CID 121257587) has the molecular formula C25H23F5N4O4 and a molecular weight of 538.47 g/mol. Its IUPAC name is N-[6-(2,4-dihydroxybutoxy)-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(2,4-dihydroxybutoxy)-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide
PubChem CID121257587
Molecular FormulaC25H23F5N4O4
Molecular Weight538.47 g/mol
Exact Mass538.16
IUPAC NameN-[6-(2,4-dihydroxybutoxy)-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide
SMILESO=C(Nc1cccc(OCC(O)CCO)n1)N1CCC(F)(F)c2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C25H23F5N4O4/c26-24(27)10-11-34(23(37)33-20-5-2-6-21(32-20)38-14-17(36)9-12-35)22-18(24)7-8-19(31-22)15-3-1-4-16(13-15)25(28,29)30/h1-8,13,17,35-36H,9-12,14H2,(H,32,33,37)
InChIKeyXAUJLCWTROFQJW-UHFFFAOYSA-N
XLogP4.82
TPSA107.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.47
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[6-(2,4-dihydroxybutoxy)-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-dihydroxybutoxy)-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[6-(2,4-dihydroxybutoxy)-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide (CID 121257587) is N-[6-(2,4-dihydroxybutoxy)-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[6-(2,4-dihydroxybutoxy)-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[6-(2,4-dihydroxybutoxy)-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide is O=C(Nc1cccc(OCC(O)CCO)n1)N1CCC(F)(F)c2ccc(-c3cccc(C(F)(F)F)c3)nc21.
What is the InChIKey of N-[6-(2,4-dihydroxybutoxy)-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide?
The InChIKey is XAUJLCWTROFQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F5N4O4/c26-24(27)10-11-34(23(37)33-20-5-2-6-21(32-20)38-14-17(36)9-12-35)22-18(24)7-8-19(31-22)15-3-1-4-16(13-15)25(28,29)30/h1-8,13,17,35-36H,9-12,14H2,(H,32,33,37).
What are the key properties of N-[6-(2,4-dihydroxybutoxy)-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide?
N-[6-(2,4-dihydroxybutoxy)-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide has a molecular weight of 538.47 g/mol, XLogP of 4.82, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,4-dihydroxybutoxy)-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 121257587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).