N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclohexanesulfonamide

C31H36N6O3S — CID 135327150

IUPACN-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclohexanesulfonamide
SMILESCc1ccc2c(NS(=O)(=O)C3CCCCC3)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1
InChIInChI=1S/C31H36N6O3S/c1-21-14-15-24-25(11-5-13-28(24)37-41(38,39)23-9-3-2-4-10-23)29(21)40-30-26(12-7-18-33-30)27-16-19-34-31(36-27)35-22-8-6-17-32-20-22/h5,7,11-16,18-19,22-23,32,37H,2-4,6,8-10,17,20H2,1H3,(H,34,35,36)/t22-/m0/s1
InChIKeyGBPOLIAUQKQMND-QFIPXVFZSA-N
MW572.74 g/mol
LogP6.03
Rot. Bonds8

About N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclohexanesulfonamide

N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclohexanesulfonamide (PubChem CID 135327150) has the molecular formula C31H36N6O3S and a molecular weight of 572.74 g/mol. Its IUPAC name is N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclohexanesulfonamide
PubChem CID135327150
Molecular FormulaC31H36N6O3S
Molecular Weight572.74 g/mol
Exact Mass572.26
IUPAC NameN-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclohexanesulfonamide
SMILESCc1ccc2c(NS(=O)(=O)C3CCCCC3)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1
InChIInChI=1S/C31H36N6O3S/c1-21-14-15-24-25(11-5-13-28(24)37-41(38,39)23-9-3-2-4-10-23)29(21)40-30-26(12-7-18-33-30)27-16-19-34-31(36-27)35-22-8-6-17-32-20-22/h5,7,11-16,18-19,22-23,32,37H,2-4,6,8-10,17,20H2,1H3,(H,34,35,36)/t22-/m0/s1
InChIKeyGBPOLIAUQKQMND-QFIPXVFZSA-N
XLogP6.03
TPSA118.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.74
LogP ≤ 56.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclohexanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclohexanesulfonamide?
The IUPAC name of N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclohexanesulfonamide (CID 135327150) is N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclohexanesulfonamide.
What is the SMILES notation for N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclohexanesulfonamide?
The canonical SMILES for N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclohexanesulfonamide is Cc1ccc2c(NS(=O)(=O)C3CCCCC3)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.
What is the InChIKey of N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclohexanesulfonamide?
The InChIKey is GBPOLIAUQKQMND-QFIPXVFZSA-N. The full InChI is InChI=1S/C31H36N6O3S/c1-21-14-15-24-25(11-5-13-28(24)37-41(38,39)23-9-3-2-4-10-23)29(21)40-30-26(12-7-18-33-30)27-16-19-34-31(36-27)35-22-8-6-17-32-20-22/h5,7,11-16,18-19,22-23,32,37H,2-4,6,8-10,17,20H2,1H3,(H,34,35,36)/t22-/m0/s1.
What are the key properties of N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclohexanesulfonamide?
N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclohexanesulfonamide has a molecular weight of 572.74 g/mol, XLogP of 6.03, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclohexanesulfonamide is sourced from PubChem (CID 135327150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).