N-[4-(2,2,2-trifluoroethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide

C17H16F3N3O — CID 166366227

IUPACN-[4-(2,2,2-trifluoroethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(CC(F)(F)F)cc1)c1cnc2c(c1)CCNC2
InChIInChI=1S/C17H16F3N3O/c18-17(19,20)8-11-1-3-14(4-2-11)23-16(24)13-7-12-5-6-21-10-15(12)22-9-13/h1-4,7,9,21H,5-6,8,10H2,(H,23,24)
InChIKeyQAPYWYNEFMRJQV-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.08
Rot. Bonds3

About N-[4-(2,2,2-trifluoroethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide

N-[4-(2,2,2-trifluoroethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide (PubChem CID 166366227) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is N-[4-(2,2,2-trifluoroethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,2,2-trifluoroethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide
PubChem CID166366227
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC NameN-[4-(2,2,2-trifluoroethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(CC(F)(F)F)cc1)c1cnc2c(c1)CCNC2
InChIInChI=1S/C17H16F3N3O/c18-17(19,20)8-11-1-3-14(4-2-11)23-16(24)13-7-12-5-6-21-10-15(12)22-9-13/h1-4,7,9,21H,5-6,8,10H2,(H,23,24)
InChIKeyQAPYWYNEFMRJQV-UHFFFAOYSA-N
XLogP3.08
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(2,2,2-trifluoroethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide with MolForge

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Related Compounds

N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide
CID 134518216
N-[1-[(3,5-difluorophenyl)methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide
CID 134518256
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119581155
6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-3-carboxylic acid
CID 105445983
4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(6-methyl-3-pyridinyl)-N-[4-(2,2,2-trifluoroethyl)phenyl]benzamide
CID 134288273
N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 64794112
1-(6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-3-yl)ethanone
CID 105444403
1-ethyl-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 86782037
N-(2-sulfamoyl-4-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 175733101
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 24898379
4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid
CID 115866991
3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901337

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2,2-trifluoroethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide?
The IUPAC name of N-[4-(2,2,2-trifluoroethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide (CID 166366227) is N-[4-(2,2,2-trifluoroethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2,2,2-trifluoroethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for N-[4-(2,2,2-trifluoroethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide is O=C(Nc1ccc(CC(F)(F)F)cc1)c1cnc2c(c1)CCNC2.
What is the InChIKey of N-[4-(2,2,2-trifluoroethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide?
The InChIKey is QAPYWYNEFMRJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c18-17(19,20)8-11-1-3-14(4-2-11)23-16(24)13-7-12-5-6-21-10-15(12)22-9-13/h1-4,7,9,21H,5-6,8,10H2,(H,23,24).
What are the key properties of N-[4-(2,2,2-trifluoroethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide?
N-[4-(2,2,2-trifluoroethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide has a molecular weight of 335.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2,2-trifluoroethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 166366227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).