N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-3,4-dimethyl-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide

C31H34N6OS — CID 176665246

IUPACN-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-3,4-dimethyl-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide
SMILESCSc1cc(C(=O)NCc2cc3nc(-c4nc(N5CCNC6(CC6)C5)cc(C)c4C)ccc3cn2)ccc1C
InChIInChI=1S/C31H34N6OS/c1-19-5-6-22(14-27(19)39-4)30(38)33-17-24-15-26-23(16-32-24)7-8-25(35-26)29-21(3)20(2)13-28(36-29)37-12-11-34-31(18-37)9-10-31/h5-8,13-16,34H,9-12,17-18H2,1-4H3,(H,33,38)
InChIKeyXAFMKUADFTXOQD-UHFFFAOYSA-N
MW538.72 g/mol
LogP5.21
Rot. Bonds6

About N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-3,4-dimethyl-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide

N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-3,4-dimethyl-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide (PubChem CID 176665246) has the molecular formula C31H34N6OS and a molecular weight of 538.72 g/mol. Its IUPAC name is N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-3,4-dimethyl-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-3,4-dimethyl-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide
PubChem CID176665246
Molecular FormulaC31H34N6OS
Molecular Weight538.72 g/mol
Exact Mass538.25
IUPAC NameN-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-3,4-dimethyl-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide
SMILESCSc1cc(C(=O)NCc2cc3nc(-c4nc(N5CCNC6(CC6)C5)cc(C)c4C)ccc3cn2)ccc1C
InChIInChI=1S/C31H34N6OS/c1-19-5-6-22(14-27(19)39-4)30(38)33-17-24-15-26-23(16-32-24)7-8-25(35-26)29-21(3)20(2)13-28(36-29)37-12-11-34-31(18-37)9-10-31/h5-8,13-16,34H,9-12,17-18H2,1-4H3,(H,33,38)
InChIKeyXAFMKUADFTXOQD-UHFFFAOYSA-N
XLogP5.21
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.72
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-3,4-dimethyl-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide with MolForge

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Related Compounds

N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide
CID 176665359
CID 176665731
CID 176665731
4-chloro-N-[(2-chloro-1,6-naphthyridin-7-yl)methyl]-3-methylsulfanylbenzamide
CID 176665098
N-[[2-[3-(1,2-dihydropyridin-4-yl)piperidin-1-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide
CID 176665507
N-[[2-[6-(4,4-difluoropyrrolidin-3-yl)oxy-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide
CID 176665915
N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-5-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-(2-hydroxyethylsulfanyl)-4-methylbenzamide
CID 176665435
N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfanylpyridine-3-carboxamide
CID 176666909
3-chloro-N-[[2-[6-[(3R,5S)-4-hydroxy-3,5-dimethylpiperidin-1-yl]-3-methyl-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylbenzamide
CID 176665930
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-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfanylbenzamide
CID 176665353
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-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

Frequently Asked Questions

What is the IUPAC name of N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-3,4-dimethyl-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide?
The IUPAC name of N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-3,4-dimethyl-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide (CID 176665246) is N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-3,4-dimethyl-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide.
What is the SMILES notation for N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-3,4-dimethyl-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide?
The canonical SMILES for N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-3,4-dimethyl-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide is CSc1cc(C(=O)NCc2cc3nc(-c4nc(N5CCNC6(CC6)C5)cc(C)c4C)ccc3cn2)ccc1C.
What is the InChIKey of N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-3,4-dimethyl-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide?
The InChIKey is XAFMKUADFTXOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N6OS/c1-19-5-6-22(14-27(19)39-4)30(38)33-17-24-15-26-23(16-32-24)7-8-25(35-26)29-21(3)20(2)13-28(36-29)37-12-11-34-31(18-37)9-10-31/h5-8,13-16,34H,9-12,17-18H2,1-4H3,(H,33,38).
What are the key properties of N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-3,4-dimethyl-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide?
N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-3,4-dimethyl-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide has a molecular weight of 538.72 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-3,4-dimethyl-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide is sourced from PubChem (CID 176665246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).