ethyl 2-methyl-6-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate

C21H25N3O6S — CID 55600474

IUPACethyl 2-methyl-6-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)nc1C
InChIInChI=1S/C21H25N3O6S/c1-4-30-21(26)17-7-8-18(22-15(17)3)20(25)23-19-13-16(6-5-14(19)2)31(27,28)24-9-11-29-12-10-24/h5-8,13H,4,9-12H2,1-3H3,(H,23,25)
InChIKeyCGHAKJVHBSTDMP-UHFFFAOYSA-N
MW447.51 g/mol
LogP2.15
Rot. Bonds6

About ethyl 2-methyl-6-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate

ethyl 2-methyl-6-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate (PubChem CID 55600474) has the molecular formula C21H25N3O6S and a molecular weight of 447.51 g/mol. Its IUPAC name is ethyl 2-methyl-6-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-6-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate
PubChem CID55600474
Molecular FormulaC21H25N3O6S
Molecular Weight447.51 g/mol
Exact Mass447.15
IUPAC Nameethyl 2-methyl-6-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)nc1C
InChIInChI=1S/C21H25N3O6S/c1-4-30-21(26)17-7-8-18(22-15(17)3)20(25)23-19-13-16(6-5-14(19)2)31(27,28)24-9-11-29-12-10-24/h5-8,13H,4,9-12H2,1-3H3,(H,23,25)
InChIKeyCGHAKJVHBSTDMP-UHFFFAOYSA-N
XLogP2.15
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-methyl-6-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate 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

ethyl 6-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate
CID 55600393
ethyl 6-[(4-chloro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate
CID 55600436
2-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-6-phenylpyridine-3-carboxamide
CID 24529088
2,6-dimethyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)quinoline-3-carboxamide
CID 55466253
4-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 26520994
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 3259805
methyl 3-[(2-chloro-5-morpholin-4-ylsulfonylbenzoyl)amino]-4-methylbenzoate
CID 26198212
methyl 4-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198226
3,4,5-trichloro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)pyridine-2-carboxamide
CID 16545868
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 8760061
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 3445466
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 43038678

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-6-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-6-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate (CID 55600474) is ethyl 2-methyl-6-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-6-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-6-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate is CCOC(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)nc1C.
What is the InChIKey of ethyl 2-methyl-6-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate?
The InChIKey is CGHAKJVHBSTDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O6S/c1-4-30-21(26)17-7-8-18(22-15(17)3)20(25)23-19-13-16(6-5-14(19)2)31(27,28)24-9-11-29-12-10-24/h5-8,13H,4,9-12H2,1-3H3,(H,23,25).
What are the key properties of ethyl 2-methyl-6-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate?
ethyl 2-methyl-6-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate has a molecular weight of 447.51 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-6-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 55600474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).