N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,6-naphthyridine-8-carboxamide

C19H16F3N3O3 — CID 121361561

IUPACN-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,6-naphthyridine-8-carboxamide
SMILESCOCC(NC(=O)c1cncc2cccnc12)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H16F3N3O3/c1-27-11-16(12-4-6-14(7-5-12)28-19(20,21)22)25-18(26)15-10-23-9-13-3-2-8-24-17(13)15/h2-10,16H,11H2,1H3,(H,25,26)
InChIKeyXYMKGSAPBAZXDX-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.65
Rot. Bonds6

About N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,6-naphthyridine-8-carboxamide

N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,6-naphthyridine-8-carboxamide (PubChem CID 121361561) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,6-naphthyridine-8-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,6-naphthyridine-8-carboxamide
PubChem CID121361561
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC NameN-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,6-naphthyridine-8-carboxamide
SMILESCOCC(NC(=O)c1cncc2cccnc12)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H16F3N3O3/c1-27-11-16(12-4-6-14(7-5-12)28-19(20,21)22)25-18(26)15-10-23-9-13-3-2-8-24-17(13)15/h2-10,16H,11H2,1H3,(H,25,26)
InChIKeyXYMKGSAPBAZXDX-UHFFFAOYSA-N
XLogP3.65
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-5-(methylamino)pyrimidine-4-carboxamide
CID 122505595
2-methoxy-N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137045845
N-(2-methylpropyl)-1,6-naphthyridine-8-carboxamide
CID 91949075
2-[cyclopropyl(methyl)amino]-N-[(1S)-2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137045789
N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]pyrazine-2-carboxamide
CID 124854277
(2S)-3,3-dimethyl-2-[[8-[[4-(trifluoromethoxy)phenyl]methoxy]quinoline-7-carbonyl]amino]butanoic acid
CID 168751627
6-fluoro-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]quinoline-8-carboxamide
CID 176916401
2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[(1S)-2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137045761
2-(3-methoxyazetidin-1-yl)-6-[(4-methoxyphenyl)methoxy]-N-[(1S)-2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 122505582
N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-6-methylpyridine-3-carboxamide
CID 124730066
N-methyl-2-pyridin-2-yl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 116628886
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 161315130

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,6-naphthyridine-8-carboxamide?
The IUPAC name of N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,6-naphthyridine-8-carboxamide (CID 121361561) is N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,6-naphthyridine-8-carboxamide.
What is the SMILES notation for N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,6-naphthyridine-8-carboxamide?
The canonical SMILES for N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,6-naphthyridine-8-carboxamide is COCC(NC(=O)c1cncc2cccnc12)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,6-naphthyridine-8-carboxamide?
The InChIKey is XYMKGSAPBAZXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c1-27-11-16(12-4-6-14(7-5-12)28-19(20,21)22)25-18(26)15-10-23-9-13-3-2-8-24-17(13)15/h2-10,16H,11H2,1H3,(H,25,26).
What are the key properties of N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,6-naphthyridine-8-carboxamide?
N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,6-naphthyridine-8-carboxamide has a molecular weight of 391.35 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,6-naphthyridine-8-carboxamide is sourced from PubChem (CID 121361561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).