2-methyl-4-(3-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)-6-phenylpyridine-3-carboxamide

C26H29N3O4S — CID 19815950

IUPAC2-methyl-4-(3-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)-6-phenylpyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)cc(-c2cccc(S(C)(=O)=O)c2)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C26H29N3O4S/c1-19-25(26(30)27-11-12-29-13-15-33-16-14-29)23(18-24(28-19)20-7-4-3-5-8-20)21-9-6-10-22(17-21)34(2,31)32/h3-10,17-18H,11-16H2,1-2H3,(H,27,30)
InChIKeyUGVPNJZIGSYCLA-UHFFFAOYSA-N
MW479.60 g/mol
LogP3.19
Rot. Bonds7

About 2-methyl-4-(3-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)-6-phenylpyridine-3-carboxamide

2-methyl-4-(3-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)-6-phenylpyridine-3-carboxamide (PubChem CID 19815950) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is 2-methyl-4-(3-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-4-(3-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)-6-phenylpyridine-3-carboxamide
PubChem CID19815950
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC Name2-methyl-4-(3-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)-6-phenylpyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)cc(-c2cccc(S(C)(=O)=O)c2)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C26H29N3O4S/c1-19-25(26(30)27-11-12-29-13-15-33-16-14-29)23(18-24(28-19)20-7-4-3-5-8-20)21-9-6-10-22(17-21)34(2,31)32/h3-10,17-18H,11-16H2,1-2H3,(H,27,30)
InChIKeyUGVPNJZIGSYCLA-UHFFFAOYSA-N
XLogP3.19
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-morpholin-4-ylethyl)-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide
CID 110332072
N-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-6-phenylpyridazine-3-carboxamide
CID 11743587
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4110000
3-(2-methylquinolin-4-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 118779645
3-methyl-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 5008423
2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 1220212
2-methyl-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 55342252
2-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-nitrophenyl)-6-thiophen-2-ylpyridine-3-carboxamide
CID 19815917
2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 23604016
1,3-dimethyl-N-(4-morpholin-4-ylbutyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55811199
2-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 3546363
3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 50805738

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)-6-phenylpyridine-3-carboxamide?
The IUPAC name of 2-methyl-4-(3-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)-6-phenylpyridine-3-carboxamide (CID 19815950) is 2-methyl-4-(3-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-4-(3-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)-6-phenylpyridine-3-carboxamide?
The canonical SMILES for 2-methyl-4-(3-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)-6-phenylpyridine-3-carboxamide is Cc1nc(-c2ccccc2)cc(-c2cccc(S(C)(=O)=O)c2)c1C(=O)NCCN1CCOCC1.
What is the InChIKey of 2-methyl-4-(3-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)-6-phenylpyridine-3-carboxamide?
The InChIKey is UGVPNJZIGSYCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-19-25(26(30)27-11-12-29-13-15-33-16-14-29)23(18-24(28-19)20-7-4-3-5-8-20)21-9-6-10-22(17-21)34(2,31)32/h3-10,17-18H,11-16H2,1-2H3,(H,27,30).
What are the key properties of 2-methyl-4-(3-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)-6-phenylpyridine-3-carboxamide?
2-methyl-4-(3-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)-6-phenylpyridine-3-carboxamide has a molecular weight of 479.60 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 19815950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).