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

C18H14F3N3O2 — CID 46908390

IUPAC2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCOc1nc2ncccc2cc1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14F3N3O2/c1-26-17-14(9-12-5-3-7-22-15(12)24-17)16(25)23-10-11-4-2-6-13(8-11)18(19,20)21/h2-9H,10H2,1H3,(H,23,25)
InChIKeyYXGFRQYBHQLGAL-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.59
Rot. Bonds4

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

2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 46908390) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
PubChem CID46908390
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCOc1nc2ncccc2cc1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14F3N3O2/c1-26-17-14(9-12-5-3-7-22-15(12)24-17)16(25)23-10-11-4-2-6-13(8-11)18(19,20)21/h2-9H,10H2,1H3,(H,23,25)
InChIKeyYXGFRQYBHQLGAL-UHFFFAOYSA-N
XLogP3.59
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (CID 46908390) is 2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is COc1nc2ncccc2cc1C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is YXGFRQYBHQLGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-26-17-14(9-12-5-3-7-22-15(12)24-17)16(25)23-10-11-4-2-6-13(8-11)18(19,20)21/h2-9H,10H2,1H3,(H,23,25).
What are the key properties of 2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 361.32 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 46908390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).