4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)benzamide

C25H29N5O4S — CID 46199117

IUPAC4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)benzamide
SMILESCCc1cnc(N2CCC(Oc3ccc(C(=O)Nc4ccc(S(C)(=O)=O)nc4C)cc3)CC2)nc1
InChIInChI=1S/C25H29N5O4S/c1-4-18-15-26-25(27-16-18)30-13-11-21(12-14-30)34-20-7-5-19(6-8-20)24(31)29-22-9-10-23(28-17(22)2)35(3,32)33/h5-10,15-16,21H,4,11-14H2,1-3H3,(H,29,31)
InChIKeyQOUHOPSERZUZQK-UHFFFAOYSA-N
MW495.61 g/mol
LogP3.45
Rot. Bonds7

About 4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)benzamide

4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)benzamide (PubChem CID 46199117) has the molecular formula C25H29N5O4S and a molecular weight of 495.61 g/mol. Its IUPAC name is 4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)benzamide
PubChem CID46199117
Molecular FormulaC25H29N5O4S
Molecular Weight495.61 g/mol
Exact Mass495.19
IUPAC Name4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)benzamide
SMILESCCc1cnc(N2CCC(Oc3ccc(C(=O)Nc4ccc(S(C)(=O)=O)nc4C)cc3)CC2)nc1
InChIInChI=1S/C25H29N5O4S/c1-4-18-15-26-25(27-16-18)30-13-11-21(12-14-30)34-20-7-5-19(6-8-20)24(31)29-22-9-10-23(28-17(22)2)35(3,32)33/h5-10,15-16,21H,4,11-14H2,1-3H3,(H,29,31)
InChIKeyQOUHOPSERZUZQK-UHFFFAOYSA-N
XLogP3.45
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.61
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)benzamide 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 4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)benzamide?
The IUPAC name of 4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)benzamide (CID 46199117) is 4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)benzamide.
What is the SMILES notation for 4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)benzamide?
The canonical SMILES for 4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)benzamide is CCc1cnc(N2CCC(Oc3ccc(C(=O)Nc4ccc(S(C)(=O)=O)nc4C)cc3)CC2)nc1.
What is the InChIKey of 4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)benzamide?
The InChIKey is QOUHOPSERZUZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4S/c1-4-18-15-26-25(27-16-18)30-13-11-21(12-14-30)34-20-7-5-19(6-8-20)24(31)29-22-9-10-23(28-17(22)2)35(3,32)33/h5-10,15-16,21H,4,11-14H2,1-3H3,(H,29,31).
What are the key properties of 4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)benzamide?
4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)benzamide has a molecular weight of 495.61 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)benzamide is sourced from PubChem (CID 46199117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).