N-[[4-(3,6-dihydro-2H-pyran-4-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide

C23H20F3N3O2 — CID 46909355

IUPACN-[[4-(3,6-dihydro-2H-pyran-4-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(C2=CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C23H20F3N3O2/c1-14-19(12-17-3-2-8-27-21(17)29-14)22(30)28-13-15-4-5-18(16-6-9-31-10-7-16)20(11-15)23(24,25)26/h2-6,8,11-12H,7,9-10,13H2,1H3,(H,28,30)
InChIKeyUGSDUNHLOTXFEB-UHFFFAOYSA-N
MW427.43 g/mol
LogP4.69
Rot. Bonds4

About N-[[4-(3,6-dihydro-2H-pyran-4-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide

N-[[4-(3,6-dihydro-2H-pyran-4-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide (PubChem CID 46909355) has the molecular formula C23H20F3N3O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is N-[[4-(3,6-dihydro-2H-pyran-4-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(3,6-dihydro-2H-pyran-4-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
PubChem CID46909355
Molecular FormulaC23H20F3N3O2
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC NameN-[[4-(3,6-dihydro-2H-pyran-4-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(C2=CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C23H20F3N3O2/c1-14-19(12-17-3-2-8-27-21(17)29-14)22(30)28-13-15-4-5-18(16-6-9-31-10-7-16)20(11-15)23(24,25)26/h2-6,8,11-12H,7,9-10,13H2,1H3,(H,28,30)
InChIKeyUGSDUNHLOTXFEB-UHFFFAOYSA-N
XLogP4.69
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,6-dihydro-2H-pyran-4-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[[4-(3,6-dihydro-2H-pyran-4-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide (CID 46909355) is N-[[4-(3,6-dihydro-2H-pyran-4-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(3,6-dihydro-2H-pyran-4-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[[4-(3,6-dihydro-2H-pyran-4-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide is Cc1nc2ncccc2cc1C(=O)NCc1ccc(C2=CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of N-[[4-(3,6-dihydro-2H-pyran-4-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
The InChIKey is UGSDUNHLOTXFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O2/c1-14-19(12-17-3-2-8-27-21(17)29-14)22(30)28-13-15-4-5-18(16-6-9-31-10-7-16)20(11-15)23(24,25)26/h2-6,8,11-12H,7,9-10,13H2,1H3,(H,28,30).
What are the key properties of N-[[4-(3,6-dihydro-2H-pyran-4-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
N-[[4-(3,6-dihydro-2H-pyran-4-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide has a molecular weight of 427.43 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,6-dihydro-2H-pyran-4-yl)-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 46909355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).