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

C24H19F3N4O2 — CID 46909358

IUPAC2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(OCc2cccnc2)c(C(F)(F)F)c1
InChIInChI=1S/C24H19F3N4O2/c1-15-19(11-18-5-3-9-29-22(18)31-15)23(32)30-13-16-6-7-21(20(10-16)24(25,26)27)33-14-17-4-2-8-28-12-17/h2-12H,13-14H2,1H3,(H,30,32)
InChIKeyHTJUWGVCJNDVSK-UHFFFAOYSA-N
MW452.44 g/mol
LogP4.86
Rot. Bonds6

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

2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 46909358) has the molecular formula C24H19F3N4O2 and a molecular weight of 452.44 g/mol. Its IUPAC name is 2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
PubChem CID46909358
Molecular FormulaC24H19F3N4O2
Molecular Weight452.44 g/mol
Exact Mass452.15
IUPAC Name2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(OCc2cccnc2)c(C(F)(F)F)c1
InChIInChI=1S/C24H19F3N4O2/c1-15-19(11-18-5-3-9-29-22(18)31-15)23(32)30-13-16-6-7-21(20(10-16)24(25,26)27)33-14-17-4-2-8-28-12-17/h2-12H,13-14H2,1H3,(H,30,32)
InChIKeyHTJUWGVCJNDVSK-UHFFFAOYSA-N
XLogP4.86
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.44
LogP ≤ 54.86
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-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (CID 46909358) is 2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is Cc1nc2ncccc2cc1C(=O)NCc1ccc(OCc2cccnc2)c(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is HTJUWGVCJNDVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O2/c1-15-19(11-18-5-3-9-29-22(18)31-15)23(32)30-13-16-6-7-21(20(10-16)24(25,26)27)33-14-17-4-2-8-28-12-17/h2-12H,13-14H2,1H3,(H,30,32).
What are the key properties of 2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 452.44 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 46909358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).