N-[[7-(2,3-dimethylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide

C27H29N3O2S — CID 42434900

IUPACN-[[7-(2,3-dimethylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cccc(C)c1C)C2
InChIInChI=1S/C27H29N3O2S/c1-17-8-7-10-21(18(17)2)27(32)30-13-12-22-20(16-30)14-28-19(3)24(22)15-29-26(31)23-9-5-6-11-25(23)33-4/h5-11,14H,12-13,15-16H2,1-4H3,(H,29,31)
InChIKeyWPVVWCDUMHQSML-UHFFFAOYSA-N
MW459.62 g/mol
LogP4.86
Rot. Bonds5

About N-[[7-(2,3-dimethylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide

N-[[7-(2,3-dimethylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide (PubChem CID 42434900) has the molecular formula C27H29N3O2S and a molecular weight of 459.62 g/mol. Its IUPAC name is N-[[7-(2,3-dimethylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[[7-(2,3-dimethylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide
PubChem CID42434900
Molecular FormulaC27H29N3O2S
Molecular Weight459.62 g/mol
Exact Mass459.20
IUPAC NameN-[[7-(2,3-dimethylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cccc(C)c1C)C2
InChIInChI=1S/C27H29N3O2S/c1-17-8-7-10-21(18(17)2)27(32)30-13-12-22-20(16-30)14-28-19(3)24(22)15-29-26(31)23-9-5-6-11-25(23)33-4/h5-11,14H,12-13,15-16H2,1-4H3,(H,29,31)
InChIKeyWPVVWCDUMHQSML-UHFFFAOYSA-N
XLogP4.86
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.62
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-methyl-7-(1H-pyrazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide
CID 42172125
N-[[3-methyl-7-(2-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide
CID 118755862
N-[[7-[2-(2-chlorophenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide
CID 26277388
2-fluoro-N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide
CID 42429933
2-fluoro-N-[[3-methyl-7-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide
CID 42422113
5-acetyl-N-[[7-(2-chloro-6-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide
CID 42440247
N-[[7-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylacetamide
CID 118755882
N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-methylsulfanylbenzamide
CID 77093532
N-[[3-methyl-7-(quinoxaline-6-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42341163
N-[[3-methyl-7-(3-methylsulfanylpropanoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 42170957
N-[[3-methyl-7-(5-methylthiophene-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrazine-2-carboxamide
CID 42325286
3-ethyl-N-[[7-(3-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-methylpyrazole-5-carboxamide
CID 42163784

Frequently Asked Questions

What is the IUPAC name of N-[[7-(2,3-dimethylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[[7-(2,3-dimethylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide (CID 42434900) is N-[[7-(2,3-dimethylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[[7-(2,3-dimethylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[[7-(2,3-dimethylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cccc(C)c1C)C2.
What is the InChIKey of N-[[7-(2,3-dimethylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide?
The InChIKey is WPVVWCDUMHQSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2S/c1-17-8-7-10-21(18(17)2)27(32)30-13-12-22-20(16-30)14-28-19(3)24(22)15-29-26(31)23-9-5-6-11-25(23)33-4/h5-11,14H,12-13,15-16H2,1-4H3,(H,29,31).
What are the key properties of N-[[7-(2,3-dimethylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide?
N-[[7-(2,3-dimethylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide has a molecular weight of 459.62 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(2,3-dimethylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 42434900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).