methyl 6-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate

C19H21N3O7S — CID 30747968

IUPACmethyl 6-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)nc1
InChIInChI=1S/C19H21N3O7S/c1-27-16-6-4-14(11-17(16)30(25,26)22-7-9-29-10-8-22)21-18(23)15-5-3-13(12-20-15)19(24)28-2/h3-6,11-12H,7-10H2,1-2H3,(H,21,23)
InChIKeyRPIGNAQILXWHSK-UHFFFAOYSA-N
MW435.46 g/mol
LogP1.15
Rot. Bonds6

About methyl 6-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate

methyl 6-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate (PubChem CID 30747968) has the molecular formula C19H21N3O7S and a molecular weight of 435.46 g/mol. Its IUPAC name is methyl 6-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate
PubChem CID30747968
Molecular FormulaC19H21N3O7S
Molecular Weight435.46 g/mol
Exact Mass435.11
IUPAC Namemethyl 6-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)nc1
InChIInChI=1S/C19H21N3O7S/c1-27-16-6-4-14(11-17(16)30(25,26)22-7-9-29-10-8-22)21-18(23)15-5-3-13(12-20-15)19(24)28-2/h3-6,11-12H,7-10H2,1-2H3,(H,21,23)
InChIKeyRPIGNAQILXWHSK-UHFFFAOYSA-N
XLogP1.15
TPSA124.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892295
3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 25438460
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 100679263
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3H-benzimidazole-5-carboxamide
CID 25438288
4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2664930
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide
CID 4578456
N-(4-carbamoylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 7926425
4-chloro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzamide
CID 26174414
N-(4-chloro-3-cyanophenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55480876
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
propyl 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 4849600
3-(methoxymethyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 9322729

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate (CID 30747968) is methyl 6-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)nc1.
What is the InChIKey of methyl 6-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate?
The InChIKey is RPIGNAQILXWHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O7S/c1-27-16-6-4-14(11-17(16)30(25,26)22-7-9-29-10-8-22)21-18(23)15-5-3-13(12-20-15)19(24)28-2/h3-6,11-12H,7-10H2,1-2H3,(H,21,23).
What are the key properties of methyl 6-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate?
methyl 6-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate has a molecular weight of 435.46 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 30747968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).