2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide

C23H22F3N3O3 — CID 46908003

IUPAC2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(OC2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C23H22F3N3O3/c1-14-18(12-16-3-2-8-27-21(16)29-14)22(30)28-13-15-4-5-20(19(11-15)23(24,25)26)32-17-6-9-31-10-7-17/h2-5,8,11-12,17H,6-7,9-10,13H2,1H3,(H,28,30)
InChIKeyFACNRKAVENRRFZ-UHFFFAOYSA-N
MW445.44 g/mol
LogP4.44
Rot. Bonds5

About 2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide

2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 46908003) has the molecular formula C23H22F3N3O3 and a molecular weight of 445.44 g/mol. Its IUPAC name is 2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
PubChem CID46908003
Molecular FormulaC23H22F3N3O3
Molecular Weight445.44 g/mol
Exact Mass445.16
IUPAC Name2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(OC2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C23H22F3N3O3/c1-14-18(12-16-3-2-8-27-21(16)29-14)22(30)28-13-15-4-5-20(19(11-15)23(24,25)26)32-17-6-9-31-10-7-17/h2-5,8,11-12,17H,6-7,9-10,13H2,1H3,(H,28,30)
InChIKeyFACNRKAVENRRFZ-UHFFFAOYSA-N
XLogP4.44
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (CID 46908003) is 2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is Cc1nc2ncccc2cc1C(=O)NCc1ccc(OC2CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is FACNRKAVENRRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O3/c1-14-18(12-16-3-2-8-27-21(16)29-14)22(30)28-13-15-4-5-20(19(11-15)23(24,25)26)32-17-6-9-31-10-7-17/h2-5,8,11-12,17H,6-7,9-10,13H2,1H3,(H,28,30).
What are the key properties of 2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 445.44 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 46908003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).