N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxypyridine-3-carboxamide

C20H21N5O4S — CID 2441279

IUPACN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1
InChIInChI=1S/C20H21N5O4S/c1-4-29-20-17(6-5-11-21-20)19(26)24-15-7-9-16(10-8-15)30(27,28)25-18-12-13(2)22-14(3)23-18/h5-12H,4H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyLBVJBTXOZNARFU-UHFFFAOYSA-N
MW427.49 g/mol
LogP2.94
Rot. Bonds7

About N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxypyridine-3-carboxamide

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxypyridine-3-carboxamide (PubChem CID 2441279) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxypyridine-3-carboxamide
PubChem CID2441279
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1
InChIInChI=1S/C20H21N5O4S/c1-4-29-20-17(6-5-11-21-20)19(26)24-15-7-9-16(10-8-15)30(27,28)25-18-12-13(2)22-14(3)23-18/h5-12H,4H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyLBVJBTXOZNARFU-UHFFFAOYSA-N
XLogP2.94
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxypyridine-3-carboxamide 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-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxypyridine-3-carboxamide (CID 2441279) is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1.
What is the InChIKey of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxypyridine-3-carboxamide?
The InChIKey is LBVJBTXOZNARFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c1-4-29-20-17(6-5-11-21-20)19(26)24-15-7-9-16(10-8-15)30(27,28)25-18-12-13(2)22-14(3)23-18/h5-12H,4H2,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxypyridine-3-carboxamide?
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxypyridine-3-carboxamide has a molecular weight of 427.49 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 2441279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).