6-chloro-N-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)anilino]-1,5-naphthyridine-3-carboxamide

C24H18ClF3N4O2 — CID 90077617

IUPAC6-chloro-N-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)anilino]-1,5-naphthyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc3ccc(Cl)nc3c2Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H18ClF3N4O2/c1-34-17-7-5-14(6-8-17)12-30-23(33)18-13-29-19-9-10-20(25)32-22(19)21(18)31-16-4-2-3-15(11-16)24(26,27)28/h2-11,13H,12H2,1H3,(H,29,31)(H,30,33)
InChIKeyUYPDMHVSJWUVEY-UHFFFAOYSA-N
MW486.88 g/mol
LogP5.98
Rot. Bonds6

About 6-chloro-N-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)anilino]-1,5-naphthyridine-3-carboxamide

6-chloro-N-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)anilino]-1,5-naphthyridine-3-carboxamide (PubChem CID 90077617) has the molecular formula C24H18ClF3N4O2 and a molecular weight of 486.88 g/mol. Its IUPAC name is 6-chloro-N-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)anilino]-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)anilino]-1,5-naphthyridine-3-carboxamide
PubChem CID90077617
Molecular FormulaC24H18ClF3N4O2
Molecular Weight486.88 g/mol
Exact Mass486.11
IUPAC Name6-chloro-N-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)anilino]-1,5-naphthyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc3ccc(Cl)nc3c2Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H18ClF3N4O2/c1-34-17-7-5-14(6-8-17)12-30-23(33)18-13-29-19-9-10-20(25)32-22(19)21(18)31-16-4-2-3-15(11-16)24(26,27)28/h2-11,13H,12H2,1H3,(H,29,31)(H,30,33)
InChIKeyUYPDMHVSJWUVEY-UHFFFAOYSA-N
XLogP5.98
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.88
LogP ≤ 55.98
H-Bond Donors ≤ 52
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 6-chloro-N-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)anilino]-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)anilino]-1,5-naphthyridine-3-carboxamide (CID 90077617) is 6-chloro-N-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)anilino]-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)anilino]-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)anilino]-1,5-naphthyridine-3-carboxamide is COc1ccc(CNC(=O)c2cnc3ccc(Cl)nc3c2Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 6-chloro-N-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)anilino]-1,5-naphthyridine-3-carboxamide?
The InChIKey is UYPDMHVSJWUVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF3N4O2/c1-34-17-7-5-14(6-8-17)12-30-23(33)18-13-29-19-9-10-20(25)32-22(19)21(18)31-16-4-2-3-15(11-16)24(26,27)28/h2-11,13H,12H2,1H3,(H,29,31)(H,30,33).
What are the key properties of 6-chloro-N-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)anilino]-1,5-naphthyridine-3-carboxamide?
6-chloro-N-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)anilino]-1,5-naphthyridine-3-carboxamide has a molecular weight of 486.88 g/mol, XLogP of 5.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)anilino]-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 90077617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).