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

C30H32ClN5O4S — CID 176665930

IUPAC3-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
SMILESCc1ccc(N2C[C@@H](C)C(O)[C@@H](C)C2)nc1-c1ccc2cnc(CNC(=O)c3cc(Cl)cc(S(C)(=O)=O)c3)cc2n1
InChIInChI=1S/C30H32ClN5O4S/c1-17-5-8-27(36-15-18(2)29(37)19(3)16-36)35-28(17)25-7-6-20-13-32-23(12-26(20)34-25)14-33-30(38)21-9-22(31)11-24(10-21)41(4,39)40/h5-13,18-19,29,37H,14-16H2,1-4H3,(H,33,38)/t18-,19+,29?
InChIKeyNVYBSFQXRMIILA-LIUALLIOSA-N
MW594.14 g/mol
LogP4.44
Rot. Bonds6

About 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

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 (PubChem CID 176665930) has the molecular formula C30H32ClN5O4S and a molecular weight of 594.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID176665930
Molecular FormulaC30H32ClN5O4S
Molecular Weight594.14 g/mol
Exact Mass593.19
IUPAC Name3-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
SMILESCc1ccc(N2C[C@@H](C)C(O)[C@@H](C)C2)nc1-c1ccc2cnc(CNC(=O)c3cc(Cl)cc(S(C)(=O)=O)c3)cc2n1
InChIInChI=1S/C30H32ClN5O4S/c1-17-5-8-27(36-15-18(2)29(37)19(3)16-36)35-28(17)25-7-6-20-13-32-23(12-26(20)34-25)14-33-30(38)21-9-22(31)11-24(10-21)41(4,39)40/h5-13,18-19,29,37H,14-16H2,1-4H3,(H,33,38)/t18-,19+,29?
InChIKeyNVYBSFQXRMIILA-LIUALLIOSA-N
XLogP4.44
TPSA125.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.14
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 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-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-2,3-dimethyl-5-methylsulfonylbenzamide
CID 176665431
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-[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide
CID 176665510
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
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
3-chloro-N-[[2-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide
CID 176665236
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-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide
CID 176666755
3-(difluoromethylsulfonyl)-N-[[2-[6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide;molecular hydrogen
CID 176665900
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-[(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(N2C[C@@H](C)C(O)[C@@H](C)C2)nc1-c1ccc2cnc(CNC(=O)c3cc(Cl)cc(S(C)(=O)=O)c3)cc2n1.
What is the InChIKey of 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?
The InChIKey is NVYBSFQXRMIILA-LIUALLIOSA-N. The full InChI is InChI=1S/C30H32ClN5O4S/c1-17-5-8-27(36-15-18(2)29(37)19(3)16-36)35-28(17)25-7-6-20-13-32-23(12-26(20)34-25)14-33-30(38)21-9-22(31)11-24(10-21)41(4,39)40/h5-13,18-19,29,37H,14-16H2,1-4H3,(H,33,38)/t18-,19+,29?.
What are the key properties of 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?
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 has a molecular weight of 594.14 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176665930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).