N-[[3-methyl-7-(1H-pyrazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide

C22H23N5O2S — CID 42172125

IUPACN-[[3-methyl-7-(1H-pyrazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cn[nH]c1)C2
InChIInChI=1S/C22H23N5O2S/c1-14-19(12-24-21(28)18-5-3-4-6-20(18)30-2)17-7-8-27(13-16(17)9-23-14)22(29)15-10-25-26-11-15/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyYJYDSZLUUJDZBR-UHFFFAOYSA-N
MW421.53 g/mol
LogP2.96
Rot. Bonds5

About N-[[3-methyl-7-(1H-pyrazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide

N-[[3-methyl-7-(1H-pyrazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide (PubChem CID 42172125) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is N-[[3-methyl-7-(1H-pyrazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[[3-methyl-7-(1H-pyrazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide
PubChem CID42172125
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC NameN-[[3-methyl-7-(1H-pyrazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cn[nH]c1)C2
InChIInChI=1S/C22H23N5O2S/c1-14-19(12-24-21(28)18-5-3-4-6-20(18)30-2)17-7-8-27(13-16(17)9-23-14)22(29)15-10-25-26-11-15/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyYJYDSZLUUJDZBR-UHFFFAOYSA-N
XLogP2.96
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[7-(2,3-dimethylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide
CID 42434900
N-[[3-methyl-7-(1H-pyrazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 74807639
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-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide
CID 42422113
N-[[3-methyl-7-(2-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide
CID 118755862
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
3-ethyl-N-[[7-(3-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-methylpyrazole-5-carboxamide
CID 42163784
N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-methylsulfanylbenzamide
CID 77093532
N-[[7-(4-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]ethanesulfonamide
CID 42340499
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-(5-methylthiophene-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrazine-2-carboxamide
CID 42325286
N-[[7-[2-(1,3-dioxoisoindol-2-yl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 118756876

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-7-(1H-pyrazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[[3-methyl-7-(1H-pyrazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide (CID 42172125) is N-[[3-methyl-7-(1H-pyrazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[[3-methyl-7-(1H-pyrazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[[3-methyl-7-(1H-pyrazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cn[nH]c1)C2.
What is the InChIKey of N-[[3-methyl-7-(1H-pyrazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide?
The InChIKey is YJYDSZLUUJDZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-14-19(12-24-21(28)18-5-3-4-6-20(18)30-2)17-7-8-27(13-16(17)9-23-14)22(29)15-10-25-26-11-15/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of N-[[3-methyl-7-(1H-pyrazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide?
N-[[3-methyl-7-(1H-pyrazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide has a molecular weight of 421.53 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-7-(1H-pyrazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 42172125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).