3-acetyl-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxybenzamide;hydrochloride

C22H28ClN3O3 — CID 23508168

IUPAC3-acetyl-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxybenzamide;hydrochloride
SMILESCC(=O)c1cc(C(=O)Nc2cnc3c(c2)CNCC3(C)C)ccc1OC(C)C.Cl
InChIInChI=1S/C22H27N3O3.ClH/c1-13(2)28-19-7-6-15(9-18(19)14(3)26)21(27)25-17-8-16-10-23-12-22(4,5)20(16)24-11-17;/h6-9,11,13,23H,10,12H2,1-5H3,(H,25,27);1H
InChIKeyOESZZUTYHPDCES-UHFFFAOYSA-N
MW417.94 g/mol
LogP4.13
Rot. Bonds5

About 3-acetyl-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxybenzamide;hydrochloride

3-acetyl-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxybenzamide;hydrochloride (PubChem CID 23508168) has the molecular formula C22H28ClN3O3 and a molecular weight of 417.94 g/mol. Its IUPAC name is 3-acetyl-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxybenzamide;hydrochloride.

Molecular Properties

Compound Name3-acetyl-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxybenzamide;hydrochloride
PubChem CID23508168
Molecular FormulaC22H28ClN3O3
Molecular Weight417.94 g/mol
Exact Mass417.18
IUPAC Name3-acetyl-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxybenzamide;hydrochloride
SMILESCC(=O)c1cc(C(=O)Nc2cnc3c(c2)CNCC3(C)C)ccc1OC(C)C.Cl
InChIInChI=1S/C22H27N3O3.ClH/c1-13(2)28-19-7-6-15(9-18(19)14(3)26)21(27)25-17-8-16-10-23-12-22(4,5)20(16)24-11-17;/h6-9,11,13,23H,10,12H2,1-5H3,(H,25,27);1H
InChIKeyOESZZUTYHPDCES-UHFFFAOYSA-N
XLogP4.13
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxy-3-(trifluoromethyl)benzamide;hydrochloride
CID 23508141
3-chloro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;hydrochloride
CID 23508152
4-ethoxy-3-(trifluoromethyl)-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;dihydrochloride
CID 23508175
N-(4-acetylphenyl)-3-bromo-4-propan-2-yloxybenzamide
CID 17355171
3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-propan-2-yloxybenzamide
CID 86843240
3-bromo-N-(4-fluorophenyl)-4-propan-2-yloxybenzamide
CID 17355174
4-methyl-N-(5-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 164526266
3-methoxy-N-(4-methylphenyl)-4-propan-2-yloxybenzamide
CID 6457881
N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2223889
4-methoxy-3-(2-methylpropanoyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide
CID 18382619
N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113034521
3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150992

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxybenzamide;hydrochloride?
The IUPAC name of 3-acetyl-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxybenzamide;hydrochloride (CID 23508168) is 3-acetyl-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxybenzamide;hydrochloride.
What is the SMILES notation for 3-acetyl-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxybenzamide;hydrochloride?
The canonical SMILES for 3-acetyl-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxybenzamide;hydrochloride is CC(=O)c1cc(C(=O)Nc2cnc3c(c2)CNCC3(C)C)ccc1OC(C)C.Cl.
What is the InChIKey of 3-acetyl-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxybenzamide;hydrochloride?
The InChIKey is OESZZUTYHPDCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3.ClH/c1-13(2)28-19-7-6-15(9-18(19)14(3)26)21(27)25-17-8-16-10-23-12-22(4,5)20(16)24-11-17;/h6-9,11,13,23H,10,12H2,1-5H3,(H,25,27);1H.
What are the key properties of 3-acetyl-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxybenzamide;hydrochloride?
3-acetyl-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxybenzamide;hydrochloride has a molecular weight of 417.94 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxybenzamide;hydrochloride is sourced from PubChem (CID 23508168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).