methyl 5-morpholin-4-ylsulfonyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate

C21H25N3O5S — CID 51116284

IUPACmethyl 5-morpholin-4-ylsulfonyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(NC2CCCc3ccccc32)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H25N3O5S/c1-28-21(25)16-13-19(30(26,27)24-9-11-29-12-10-24)20(22-14-16)23-18-8-4-6-15-5-2-3-7-17(15)18/h2-3,5,7,13-14,18H,4,6,8-12H2,1H3,(H,22,23)
InChIKeyXVMZYYPCCYVZJT-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.38
Rot. Bonds5

About methyl 5-morpholin-4-ylsulfonyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate

methyl 5-morpholin-4-ylsulfonyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate (PubChem CID 51116284) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is methyl 5-morpholin-4-ylsulfonyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-morpholin-4-ylsulfonyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate
PubChem CID51116284
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Namemethyl 5-morpholin-4-ylsulfonyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(NC2CCCc3ccccc32)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H25N3O5S/c1-28-21(25)16-13-19(30(26,27)24-9-11-29-12-10-24)20(22-14-16)23-18-8-4-6-15-5-2-3-7-17(15)18/h2-3,5,7,13-14,18H,4,6,8-12H2,1H3,(H,22,23)
InChIKeyXVMZYYPCCYVZJT-UHFFFAOYSA-N
XLogP2.38
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2368017
methyl 6-[[3-(methylsulfamoyl)phenyl]methylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate
CID 55827594
methyl 6-[2-(3-chlorophenyl)ethylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate
CID 55832622
4-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450785
2-methoxy-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 28570089
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 4171240
methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 779077
methyl 6-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate
CID 55829991
3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 92710870
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2513668
2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40943120
N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55864986

Frequently Asked Questions

What is the IUPAC name of methyl 5-morpholin-4-ylsulfonyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 5-morpholin-4-ylsulfonyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate (CID 51116284) is methyl 5-morpholin-4-ylsulfonyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-morpholin-4-ylsulfonyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-morpholin-4-ylsulfonyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate is COC(=O)c1cnc(NC2CCCc3ccccc32)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of methyl 5-morpholin-4-ylsulfonyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate?
The InChIKey is XVMZYYPCCYVZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-28-21(25)16-13-19(30(26,27)24-9-11-29-12-10-24)20(22-14-16)23-18-8-4-6-15-5-2-3-7-17(15)18/h2-3,5,7,13-14,18H,4,6,8-12H2,1H3,(H,22,23).
What are the key properties of methyl 5-morpholin-4-ylsulfonyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate?
methyl 5-morpholin-4-ylsulfonyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate has a molecular weight of 431.51 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-morpholin-4-ylsulfonyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate is sourced from PubChem (CID 51116284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).