3-(difluoromethoxy)-N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide

C29H29F2N5O3S — CID 176665979

IUPAC3-(difluoromethoxy)-N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide
SMILESCSc1cc(OC(F)F)cc(C(=O)NCc2cc3nc(-c4cccc(N5CC(C)OC(C)C5)n4)ccc3cn2)c1
InChIInChI=1S/C29H29F2N5O3S/c1-17-15-36(16-18(2)38-17)27-6-4-5-24(35-27)25-8-7-19-13-32-21(11-26(19)34-25)14-33-28(37)20-9-22(39-29(30)31)12-23(10-20)40-3/h4-13,17-18,29H,14-16H2,1-3H3,(H,33,37)
InChIKeyVCWWKUGEJDESNO-UHFFFAOYSA-N
MW565.65 g/mol
LogP5.56
Rot. Bonds8

About 3-(difluoromethoxy)-N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide

3-(difluoromethoxy)-N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide (PubChem CID 176665979) has the molecular formula C29H29F2N5O3S and a molecular weight of 565.65 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide
PubChem CID176665979
Molecular FormulaC29H29F2N5O3S
Molecular Weight565.65 g/mol
Exact Mass565.20
IUPAC Name3-(difluoromethoxy)-N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide
SMILESCSc1cc(OC(F)F)cc(C(=O)NCc2cc3nc(-c4cccc(N5CC(C)OC(C)C5)n4)ccc3cn2)c1
InChIInChI=1S/C29H29F2N5O3S/c1-17-15-36(16-18(2)38-17)27-6-4-5-24(35-27)25-8-7-19-13-32-21(11-26(19)34-25)14-33-28(37)20-9-22(39-29(30)31)12-23(10-20)40-3/h4-13,17-18,29H,14-16H2,1-3H3,(H,33,37)
InChIKeyVCWWKUGEJDESNO-UHFFFAOYSA-N
XLogP5.56
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.65
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(difluoromethoxy)-N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfanylbenzamide
CID 176665353
3-chloro-N-[[2-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide
CID 176665236
3-(difluoromethoxy)-5-(difluoromethylsulfonyl)-N-[[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen
CID 176665872
N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-ethyl-2-fluoro-4-methylbenzamide
CID 176665250
CID 176665731
CID 176665731
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
N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfanylpyridine-3-carboxamide
CID 176666909
(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
(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
3-chloro-N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-sulfanylbenzamide;difluoromethane
CID 176665372
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
(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

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide (CID 176665979) is 3-(difluoromethoxy)-N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide is CSc1cc(OC(F)F)cc(C(=O)NCc2cc3nc(-c4cccc(N5CC(C)OC(C)C5)n4)ccc3cn2)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide?
The InChIKey is VCWWKUGEJDESNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F2N5O3S/c1-17-15-36(16-18(2)38-17)27-6-4-5-24(35-27)25-8-7-19-13-32-21(11-26(19)34-25)14-33-28(37)20-9-22(39-29(30)31)12-23(10-20)40-3/h4-13,17-18,29H,14-16H2,1-3H3,(H,33,37).
What are the key properties of 3-(difluoromethoxy)-N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide?
3-(difluoromethoxy)-N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide has a molecular weight of 565.65 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide is sourced from PubChem (CID 176665979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).