N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxy-3-(trifluoromethyl)benzamide;hydrochloride

C19H21ClF3N3O2 — CID 23508141

IUPACN-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxy-3-(trifluoromethyl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)Nc2cnc3c(c2)CNCC3(C)C)cc1C(F)(F)F.Cl
InChIInChI=1S/C19H20F3N3O2.ClH/c1-18(2)10-23-8-12-6-13(9-24-16(12)18)25-17(26)11-4-5-15(27-3)14(7-11)19(20,21)22;/h4-7,9,23H,8,10H2,1-3H3,(H,25,26);1H
InChIKeyVKCOYCXKGYLWHT-UHFFFAOYSA-N
MW415.84 g/mol
LogP4.16
Rot. Bonds3

About N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxy-3-(trifluoromethyl)benzamide;hydrochloride

N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxy-3-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 23508141) has the molecular formula C19H21ClF3N3O2 and a molecular weight of 415.84 g/mol. Its IUPAC name is N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxy-3-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxy-3-(trifluoromethyl)benzamide;hydrochloride
PubChem CID23508141
Molecular FormulaC19H21ClF3N3O2
Molecular Weight415.84 g/mol
Exact Mass415.13
IUPAC NameN-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxy-3-(trifluoromethyl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)Nc2cnc3c(c2)CNCC3(C)C)cc1C(F)(F)F.Cl
InChIInChI=1S/C19H20F3N3O2.ClH/c1-18(2)10-23-8-12-6-13(9-24-16(12)18)25-17(26)11-4-5-15(27-3)14(7-11)19(20,21)22;/h4-7,9,23H,8,10H2,1-3H3,(H,25,26);1H
InChIKeyVKCOYCXKGYLWHT-UHFFFAOYSA-N
XLogP4.16
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.84
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxybenzamide;hydrochloride
CID 23508168
4-ethoxy-3-(trifluoromethyl)-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;dihydrochloride
CID 23508175
3-chloro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;hydrochloride
CID 23508152
dimethyl 3-[4-[[4-methoxy-3-(trifluoromethyl)benzoyl]amino]pyrazol-1-yl]pentanedioate
CID 3757458
methyl 4-methoxy-3-(trifluoromethyl)benzoate
CID 19360538
4-(methylamino)-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 62169200
4-methoxy-N-[4-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 46101118
4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(1,1,2,2,2-pentafluoroethyl)benzamide;hydrochloride
CID 22597764
1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one
CID 146008941
N-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998750
3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 44871489
N-[6-(cyclohexylamino)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 113010066

Frequently Asked Questions

What is the IUPAC name of N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxy-3-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxy-3-(trifluoromethyl)benzamide;hydrochloride (CID 23508141) is N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxy-3-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxy-3-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxy-3-(trifluoromethyl)benzamide;hydrochloride is COc1ccc(C(=O)Nc2cnc3c(c2)CNCC3(C)C)cc1C(F)(F)F.Cl.
What is the InChIKey of N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxy-3-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is VKCOYCXKGYLWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2.ClH/c1-18(2)10-23-8-12-6-13(9-24-16(12)18)25-17(26)11-4-5-15(27-3)14(7-11)19(20,21)22;/h4-7,9,23H,8,10H2,1-3H3,(H,25,26);1H.
What are the key properties of N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxy-3-(trifluoromethyl)benzamide;hydrochloride?
N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxy-3-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 415.84 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxy-3-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 23508141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).