N-[[6-(6-ethyl-2-pyridinyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-4-methyl-3-methylsulfonylbenzamide

C24H23N5O3S — CID 164906932

IUPACN-[[6-(6-ethyl-2-pyridinyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-4-methyl-3-methylsulfonylbenzamide
SMILESCCc1cccc(-c2ccc3nnc(CNC(=O)c4ccc(C)c(S(C)(=O)=O)c4)cc3n2)n1
InChIInChI=1S/C24H23N5O3S/c1-4-17-6-5-7-19(26-17)20-10-11-21-22(27-20)13-18(28-29-21)14-25-24(30)16-9-8-15(2)23(12-16)33(3,31)32/h5-13H,4,14H2,1-3H3,(H,25,30)
InChIKeyQREMTBFCXKOCCP-UHFFFAOYSA-N
MW461.55 g/mol
LogP3.29
Rot. Bonds6

About N-[[6-(6-ethyl-2-pyridinyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-4-methyl-3-methylsulfonylbenzamide

N-[[6-(6-ethyl-2-pyridinyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-4-methyl-3-methylsulfonylbenzamide (PubChem CID 164906932) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is N-[[6-(6-ethyl-2-pyridinyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-4-methyl-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[6-(6-ethyl-2-pyridinyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-4-methyl-3-methylsulfonylbenzamide
PubChem CID164906932
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC NameN-[[6-(6-ethyl-2-pyridinyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-4-methyl-3-methylsulfonylbenzamide
SMILESCCc1cccc(-c2ccc3nnc(CNC(=O)c4ccc(C)c(S(C)(=O)=O)c4)cc3n2)n1
InChIInChI=1S/C24H23N5O3S/c1-4-17-6-5-7-19(26-17)20-10-11-21-22(27-20)13-18(28-29-21)14-25-24(30)16-9-8-15(2)23(12-16)33(3,31)32/h5-13H,4,14H2,1-3H3,(H,25,30)
InChIKeyQREMTBFCXKOCCP-UHFFFAOYSA-N
XLogP3.29
TPSA114.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[6-(6-ethyl-2-pyridinyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-4-methyl-3-methylsulfonylbenzamide with MolForge

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Related Compounds

4-ethyl-N-[[2-(6-fluoro-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-3-methylsulfonylbenzamide
CID 176665328
4-methyl-3-methylsulfonyl-N-[[2-[6-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
CID 176665280
N-[[2-[6-(1,1-dioxo-1,3-thiazinan-3-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide
CID 176665279
4-methyl-N-[[4-(1-methylpyrrolo[3,2-b]pyridin-5-yl)-2-pyridinyl]methyl]-3-methylsulfonylbenzamide
CID 177019450
N-[[2-[6-[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide
CID 176665510
N-[[4-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]methyl]-4-methyl-3-methylsulfonylbenzamide
CID 177019414
4-methyl-N-[2-(methylamino)ethyl]-3-methylsulfonylbenzamide
CID 119501364
N-(3,3-diphenylpropyl)-4-methyl-3-methylsulfonylbenzamide
CID 46488801
N-[[2-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-formyl-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide;molecular hydrogen
CID 176665222
N-[[6-[2-[4-[2-[2-[2-[4-[3-(4-bromophenyl)-2-(2-chloroacetyl)-3,4-dihydropyrazol-5-yl]phenoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-4-pyridinyl]pyrido[3,2-c]pyridazin-3-yl]methyl]-4-methyl-3-methylsulfonylbenzamide
CID 164907160
N-[[6-[3-[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propylamino]ethoxy]-4-pyridinyl]phenyl]pyrido[3,2-c]pyridazin-3-yl]methyl]-4-methyl-3-methylsulfonylbenzamide;molecular hydrogen
CID 164907046
4-methyl-3-methylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 47047969

Frequently Asked Questions

What is the IUPAC name of N-[[6-(6-ethyl-2-pyridinyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-4-methyl-3-methylsulfonylbenzamide?
The IUPAC name of N-[[6-(6-ethyl-2-pyridinyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-4-methyl-3-methylsulfonylbenzamide (CID 164906932) is N-[[6-(6-ethyl-2-pyridinyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-4-methyl-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[[6-(6-ethyl-2-pyridinyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-4-methyl-3-methylsulfonylbenzamide?
The canonical SMILES for N-[[6-(6-ethyl-2-pyridinyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-4-methyl-3-methylsulfonylbenzamide is CCc1cccc(-c2ccc3nnc(CNC(=O)c4ccc(C)c(S(C)(=O)=O)c4)cc3n2)n1.
What is the InChIKey of N-[[6-(6-ethyl-2-pyridinyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-4-methyl-3-methylsulfonylbenzamide?
The InChIKey is QREMTBFCXKOCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-4-17-6-5-7-19(26-17)20-10-11-21-22(27-20)13-18(28-29-21)14-25-24(30)16-9-8-15(2)23(12-16)33(3,31)32/h5-13H,4,14H2,1-3H3,(H,25,30).
What are the key properties of N-[[6-(6-ethyl-2-pyridinyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-4-methyl-3-methylsulfonylbenzamide?
N-[[6-(6-ethyl-2-pyridinyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-4-methyl-3-methylsulfonylbenzamide has a molecular weight of 461.55 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(6-ethyl-2-pyridinyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-4-methyl-3-methylsulfonylbenzamide is sourced from PubChem (CID 164906932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).