N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide

C22H28N4O5S — CID 55755749

IUPACN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H28N4O5S/c1-30-19-8-7-17(16-20(19)32(28,29)26-12-14-31-15-13-26)24-22(27)18-6-5-9-23-21(18)25-10-3-2-4-11-25/h5-9,16H,2-4,10-15H2,1H3,(H,24,27)
InChIKeyYNIGCACZTJEQPJ-UHFFFAOYSA-N
MW460.56 g/mol
LogP2.35
Rot. Bonds6

About N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide

N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 55755749) has the molecular formula C22H28N4O5S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide
PubChem CID55755749
Molecular FormulaC22H28N4O5S
Molecular Weight460.56 g/mol
Exact Mass460.18
IUPAC NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H28N4O5S/c1-30-19-8-7-17(16-20(19)32(28,29)26-12-14-31-15-13-26)24-22(27)18-6-5-9-23-21(18)25-10-3-2-4-11-25/h5-9,16H,2-4,10-15H2,1H3,(H,24,27)
InChIKeyYNIGCACZTJEQPJ-UHFFFAOYSA-N
XLogP2.35
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 119419635
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide
CID 4811508
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 100679263
2-(4-fluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4885170
5-bromo-2-hydroxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 46510504
N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 119419992
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide
CID 4578456
methyl 6-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate
CID 30747968
3,4-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26174301
3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 25438460
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methoxypyridine-3-carboxamide
CID 39983441
3-(azepan-1-ylsulfonyl)-4-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 24590411

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide (CID 55755749) is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide is COc1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is YNIGCACZTJEQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5S/c1-30-19-8-7-17(16-20(19)32(28,29)26-12-14-31-15-13-26)24-22(27)18-6-5-9-23-21(18)25-10-3-2-4-11-25/h5-9,16H,2-4,10-15H2,1H3,(H,24,27).
What are the key properties of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide?
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 460.56 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 55755749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).