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

C28H31N5OS — CID 176665507

IUPACN-[[2-[3-(1,2-dihydropyridin-4-yl)piperidin-1-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide
SMILESCSc1cc(C(=O)NCc2cc3nc(N4CCCC(C5=CCNC=C5)C4)ccc3cn2)ccc1C
InChIInChI=1S/C28H31N5OS/c1-19-5-6-21(14-26(19)35-2)28(34)31-17-24-15-25-22(16-30-24)7-8-27(32-25)33-13-3-4-23(18-33)20-9-11-29-12-10-20/h5-11,14-16,23,29H,3-4,12-13,17-18H2,1-2H3,(H,31,34)
InChIKeyZIFQTJWMBATDSF-UHFFFAOYSA-N
MW485.66 g/mol
LogP4.85
Rot. Bonds6

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

N-[[2-[3-(1,2-dihydropyridin-4-yl)piperidin-1-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide (PubChem CID 176665507) has the molecular formula C28H31N5OS and a molecular weight of 485.66 g/mol. Its IUPAC name is N-[[2-[3-(1,2-dihydropyridin-4-yl)piperidin-1-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[[2-[3-(1,2-dihydropyridin-4-yl)piperidin-1-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide
PubChem CID176665507
Molecular FormulaC28H31N5OS
Molecular Weight485.66 g/mol
Exact Mass485.22
IUPAC NameN-[[2-[3-(1,2-dihydropyridin-4-yl)piperidin-1-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide
SMILESCSc1cc(C(=O)NCc2cc3nc(N4CCCC(C5=CCNC=C5)C4)ccc3cn2)ccc1C
InChIInChI=1S/C28H31N5OS/c1-19-5-6-21(14-26(19)35-2)28(34)31-17-24-15-25-22(16-30-24)7-8-27(32-25)33-13-3-4-23(18-33)20-9-11-29-12-10-20/h5-11,14-16,23,29H,3-4,12-13,17-18H2,1-2H3,(H,31,34)
InChIKeyZIFQTJWMBATDSF-UHFFFAOYSA-N
XLogP4.85
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.66
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 176665731
CID 176665731
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
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
N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfanylpyridine-3-carboxamide
CID 176666909
4-chloro-N-[(2-chloro-1,6-naphthyridin-7-yl)methyl]-3-methylsulfanylbenzamide
CID 176665098
N-[[2-[6-[(3S,5R)-4-hydroxy-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-[(S)-methylsulfinyl]benzamide
CID 176665609
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-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfanylbenzamide
CID 176665353
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-(3,5-dimethylpiperidin-1-yl)-5-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-(2-hydroxyethylsulfanyl)-4-methylbenzamide
CID 176665435
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-(1,1-dioxo-1,3-thiazinan-3-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide
CID 176665279

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(1,2-dihydropyridin-4-yl)piperidin-1-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide?
The IUPAC name of N-[[2-[3-(1,2-dihydropyridin-4-yl)piperidin-1-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide (CID 176665507) is N-[[2-[3-(1,2-dihydropyridin-4-yl)piperidin-1-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide.
What is the SMILES notation for N-[[2-[3-(1,2-dihydropyridin-4-yl)piperidin-1-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide?
The canonical SMILES for N-[[2-[3-(1,2-dihydropyridin-4-yl)piperidin-1-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide is CSc1cc(C(=O)NCc2cc3nc(N4CCCC(C5=CCNC=C5)C4)ccc3cn2)ccc1C.
What is the InChIKey of N-[[2-[3-(1,2-dihydropyridin-4-yl)piperidin-1-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide?
The InChIKey is ZIFQTJWMBATDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5OS/c1-19-5-6-21(14-26(19)35-2)28(34)31-17-24-15-25-22(16-30-24)7-8-27(32-25)33-13-3-4-23(18-33)20-9-11-29-12-10-20/h5-11,14-16,23,29H,3-4,12-13,17-18H2,1-2H3,(H,31,34).
What are the key properties of N-[[2-[3-(1,2-dihydropyridin-4-yl)piperidin-1-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide?
N-[[2-[3-(1,2-dihydropyridin-4-yl)piperidin-1-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide has a molecular weight of 485.66 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(1,2-dihydropyridin-4-yl)piperidin-1-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide is sourced from PubChem (CID 176665507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).