2-methyl-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide

C24H18F3N3O — CID 66745401

IUPAC2-methyl-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1cccc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C24H18F3N3O/c1-15-20(13-18-8-5-11-28-22(18)30-15)23(31)29-14-16-6-4-7-17(12-16)19-9-2-3-10-21(19)24(25,26)27/h2-13H,14H2,1H3,(H,29,31)
InChIKeyXJRXOOQYMBVKGB-UHFFFAOYSA-N
MW421.42 g/mol
LogP5.55
Rot. Bonds4

About 2-methyl-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide

2-methyl-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 66745401) has the molecular formula C24H18F3N3O and a molecular weight of 421.42 g/mol. Its IUPAC name is 2-methyl-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide
PubChem CID66745401
Molecular FormulaC24H18F3N3O
Molecular Weight421.42 g/mol
Exact Mass421.14
IUPAC Name2-methyl-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1cccc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C24H18F3N3O/c1-15-20(13-18-8-5-11-28-22(18)30-15)23(31)29-14-16-6-4-7-17(12-16)19-9-2-3-10-21(19)24(25,26)27/h2-13H,14H2,1H3,(H,29,31)
InChIKeyXJRXOOQYMBVKGB-UHFFFAOYSA-N
XLogP5.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.42
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide (CID 66745401) is 2-methyl-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide is Cc1nc2ncccc2cc1C(=O)NCc1cccc(-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 2-methyl-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is XJRXOOQYMBVKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O/c1-15-20(13-18-8-5-11-28-22(18)30-15)23(31)29-14-16-6-4-7-17(12-16)19-9-2-3-10-21(19)24(25,26)27/h2-13H,14H2,1H3,(H,29,31).
What are the key properties of 2-methyl-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
2-methyl-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 421.42 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 66745401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).