5-(2,2-dimethylpropanoyl)-2-methoxy-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide;hydrochloride

C22H28ClN3O3 — CID 70285027

IUPAC5-(2,2-dimethylpropanoyl)-2-methoxy-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)C(C)(C)C)cc1C(=O)Nc1cnc2c(c1)CN(C)CC2.Cl
InChIInChI=1S/C22H27N3O3.ClH/c1-22(2,3)20(26)14-6-7-19(28-5)17(11-14)21(27)24-16-10-15-13-25(4)9-8-18(15)23-12-16;/h6-7,10-12H,8-9,13H2,1-5H3,(H,24,27);1H
InChIKeyCZYBMYVVBHWCRV-UHFFFAOYSA-N
MW417.94 g/mol
LogP3.98
Rot. Bonds4

About 5-(2,2-dimethylpropanoyl)-2-methoxy-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide;hydrochloride

5-(2,2-dimethylpropanoyl)-2-methoxy-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide;hydrochloride (PubChem CID 70285027) has the molecular formula C22H28ClN3O3 and a molecular weight of 417.94 g/mol. Its IUPAC name is 5-(2,2-dimethylpropanoyl)-2-methoxy-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name5-(2,2-dimethylpropanoyl)-2-methoxy-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide;hydrochloride
PubChem CID70285027
Molecular FormulaC22H28ClN3O3
Molecular Weight417.94 g/mol
Exact Mass417.18
IUPAC Name5-(2,2-dimethylpropanoyl)-2-methoxy-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)C(C)(C)C)cc1C(=O)Nc1cnc2c(c1)CN(C)CC2.Cl
InChIInChI=1S/C22H27N3O3.ClH/c1-22(2,3)20(26)14-6-7-19(28-5)17(11-14)21(27)24-16-10-15-13-25(4)9-8-18(15)23-12-16;/h6-7,10-12H,8-9,13H2,1-5H3,(H,24,27);1H
InChIKeyCZYBMYVVBHWCRV-UHFFFAOYSA-N
XLogP3.98
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 18687364
5-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propan-2-yloxybenzamide;5-(2,2-dimethylpropanoyl)-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
CID 158875405
3-(2,2-dimethylpropanoyl)-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;hydrochloride
CID 142644342
4-azido-3-iodo-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide
CID 21196389
4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 10066617
4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(1,1,2,2,2-pentafluoroethyl)benzamide;hydrochloride
CID 22597764
5-benzoyl-N-(7-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)-2-methoxybenzamide
CID 22597775
3-chloro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;hydrochloride
CID 23508152
N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(trifluoromethoxy)benzamide
CID 70206950
2-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 15282280
1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 71761515
2-propan-2-yl-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide
CID 172888003

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropanoyl)-2-methoxy-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide;hydrochloride?
The IUPAC name of 5-(2,2-dimethylpropanoyl)-2-methoxy-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide;hydrochloride (CID 70285027) is 5-(2,2-dimethylpropanoyl)-2-methoxy-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide;hydrochloride.
What is the SMILES notation for 5-(2,2-dimethylpropanoyl)-2-methoxy-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide;hydrochloride?
The canonical SMILES for 5-(2,2-dimethylpropanoyl)-2-methoxy-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide;hydrochloride is COc1ccc(C(=O)C(C)(C)C)cc1C(=O)Nc1cnc2c(c1)CN(C)CC2.Cl.
What is the InChIKey of 5-(2,2-dimethylpropanoyl)-2-methoxy-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide;hydrochloride?
The InChIKey is CZYBMYVVBHWCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3.ClH/c1-22(2,3)20(26)14-6-7-19(28-5)17(11-14)21(27)24-16-10-15-13-25(4)9-8-18(15)23-12-16;/h6-7,10-12H,8-9,13H2,1-5H3,(H,24,27);1H.
What are the key properties of 5-(2,2-dimethylpropanoyl)-2-methoxy-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide;hydrochloride?
5-(2,2-dimethylpropanoyl)-2-methoxy-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide;hydrochloride has a molecular weight of 417.94 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropanoyl)-2-methoxy-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 70285027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).