N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfanylbenzamide

C28H29N5O2S — CID 176665353

IUPACN-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfanylbenzamide
SMILESCSc1cccc(C(=O)NCc2cc3nc(-c4cccc(N5CC(C)OC(C)C5)n4)ccc3cn2)c1
InChIInChI=1S/C28H29N5O2S/c1-18-16-33(17-19(2)35-18)27-9-5-8-24(32-27)25-11-10-21-14-29-22(13-26(21)31-25)15-30-28(34)20-6-4-7-23(12-20)36-3/h4-14,18-19H,15-17H2,1-3H3,(H,30,34)
InChIKeyAWFXSRNMYZPCDO-UHFFFAOYSA-N
MW499.64 g/mol
LogP4.96
Rot. Bonds6

About N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfanylbenzamide

N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfanylbenzamide (PubChem CID 176665353) has the molecular formula C28H29N5O2S and a molecular weight of 499.64 g/mol. Its IUPAC name is N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfanylbenzamide
PubChem CID176665353
Molecular FormulaC28H29N5O2S
Molecular Weight499.64 g/mol
Exact Mass499.20
IUPAC NameN-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfanylbenzamide
SMILESCSc1cccc(C(=O)NCc2cc3nc(-c4cccc(N5CC(C)OC(C)C5)n4)ccc3cn2)c1
InChIInChI=1S/C28H29N5O2S/c1-18-16-33(17-19(2)35-18)27-9-5-8-24(32-27)25-11-10-21-14-29-22(13-26(21)31-25)15-30-28(34)20-6-4-7-23(12-20)36-3/h4-14,18-19H,15-17H2,1-3H3,(H,30,34)
InChIKeyAWFXSRNMYZPCDO-UHFFFAOYSA-N
XLogP4.96
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.64
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-(difluoromethoxy)-N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide
CID 176665979
3-chloro-N-[[2-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide
CID 176665236
N-[[2-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-1,1-dioxo-3,5-dihydro-2H-4,1λ6-benzoxathiepine-8-carboxamide
CID 170544710
CID 176665731
CID 176665731
3-chloro-N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
CID 176665711
N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-ethyl-2-fluoro-4-methylbenzamide
CID 176665250
(2R)-N-[[2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-2-fluoro-4-methyl-1,1-dioxo-3,5-dihydro-2H-1λ6,4-benzothiazepine-8-carboxamide
CID 170337793
N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfanylpyridine-3-carboxamide
CID 176666909
(2R)-N-[[2-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-2-fluoro-5-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,5-benzothiazepine-8-carboxamide
CID 170391916
N-[[2-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-(1-hydroxyethyl)-5-methylpyridine-2-carboxamide
CID 176666774
3-cyano-N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
CID 176665227
(5S)-N-[[2-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5,10-difluoro-6,6-dioxo-2,3,4,5-tetrahydro-1,6λ6-benzoxathiocine-8-carboxamide
CID 170388033

Frequently Asked Questions

What is the IUPAC name of N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfanylbenzamide?
The IUPAC name of N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfanylbenzamide (CID 176665353) is N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfanylbenzamide.
What is the SMILES notation for N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfanylbenzamide?
The canonical SMILES for N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfanylbenzamide is CSc1cccc(C(=O)NCc2cc3nc(-c4cccc(N5CC(C)OC(C)C5)n4)ccc3cn2)c1.
What is the InChIKey of N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfanylbenzamide?
The InChIKey is AWFXSRNMYZPCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2S/c1-18-16-33(17-19(2)35-18)27-9-5-8-24(32-27)25-11-10-21-14-29-22(13-26(21)31-25)15-30-28(34)20-6-4-7-23(12-20)36-3/h4-14,18-19H,15-17H2,1-3H3,(H,30,34).
What are the key properties of N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfanylbenzamide?
N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfanylbenzamide has a molecular weight of 499.64 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfanylbenzamide is sourced from PubChem (CID 176665353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).