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

C27H26ClN5O2S — CID 176665236

IUPAC3-chloro-N-[[2-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide
SMILESCSc1cc(Cl)cc(C(=O)NCc2cc3nc(-c4cccc(N5CCOC(C)C5)n4)ccc3cn2)c1
InChIInChI=1S/C27H26ClN5O2S/c1-17-16-33(8-9-35-17)26-5-3-4-23(32-26)24-7-6-18-14-29-21(13-25(18)31-24)15-30-27(34)19-10-20(28)12-22(11-19)36-2/h3-7,10-14,17H,8-9,15-16H2,1-2H3,(H,30,34)
InChIKeySSWUYJODNGCJCN-UHFFFAOYSA-N
MW520.06 g/mol
LogP5.22
Rot. Bonds6

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

3-chloro-N-[[2-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide (PubChem CID 176665236) has the molecular formula C27H26ClN5O2S and a molecular weight of 520.06 g/mol. Its IUPAC name is 3-chloro-N-[[2-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[[2-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide
PubChem CID176665236
Molecular FormulaC27H26ClN5O2S
Molecular Weight520.06 g/mol
Exact Mass519.15
IUPAC Name3-chloro-N-[[2-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide
SMILESCSc1cc(Cl)cc(C(=O)NCc2cc3nc(-c4cccc(N5CCOC(C)C5)n4)ccc3cn2)c1
InChIInChI=1S/C27H26ClN5O2S/c1-17-16-33(8-9-35-17)26-5-3-4-23(32-26)24-7-6-18-14-29-21(13-25(18)31-24)15-30-27(34)19-10-20(28)12-22(11-19)36-2/h3-7,10-14,17H,8-9,15-16H2,1-2H3,(H,30,34)
InChIKeySSWUYJODNGCJCN-UHFFFAOYSA-N
XLogP5.22
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.06
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfanylbenzamide
CID 176665353
3-(difluoromethoxy)-N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide
CID 176665979
3-(difluoromethylsulfonyl)-N-[[2-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen
CID 176665900
3-chloro-N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
CID 176665711
CID 176665731
CID 176665731
N-[[2-[6-(3-hydroxy-4,4-dimethoxypiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylpyridine-3-carboxamide
CID 176666586
N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfanylpyridine-3-carboxamide
CID 176666909
N-[[2-[6-(3,3-dimethyl-1-oxo-5,6,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrazin-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylpyridine-3-carboxamide
CID 176666777
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-[4-fluoro-6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-(2,2,2-trifluoroethylsulfonyl)benzamide;molecular hydrogen
CID 176665893
N-[[2-[6-[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-chloro-3-methylsulfonylbenzamide
CID 170544789
(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 3-chloro-N-[[2-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide?
The IUPAC name of 3-chloro-N-[[2-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide (CID 176665236) is 3-chloro-N-[[2-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide.
What is the SMILES notation for 3-chloro-N-[[2-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide?
The canonical SMILES for 3-chloro-N-[[2-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide is CSc1cc(Cl)cc(C(=O)NCc2cc3nc(-c4cccc(N5CCOC(C)C5)n4)ccc3cn2)c1.
What is the InChIKey of 3-chloro-N-[[2-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide?
The InChIKey is SSWUYJODNGCJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN5O2S/c1-17-16-33(8-9-35-17)26-5-3-4-23(32-26)24-7-6-18-14-29-21(13-25(18)31-24)15-30-27(34)19-10-20(28)12-22(11-19)36-2/h3-7,10-14,17H,8-9,15-16H2,1-2H3,(H,30,34).
What are the key properties of 3-chloro-N-[[2-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide?
3-chloro-N-[[2-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide has a molecular weight of 520.06 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[2-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide is sourced from PubChem (CID 176665236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).