(R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-morpholin-4-ylmethanone;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-one

C61H89N11O9S — CID 159855091

IUPAC(R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-morpholin-4-ylmethanone;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-one
SMILESCc1ccc(C(=O)CCN2CCOCC2)nc1.Cc1ccc(C(=O)N2CCOCC2)nc1.Cc1ccc(C(=O)O)nc1.Cc1ccc(C(CCN2CCOCC2)N[S@](=O)C(C)(C)C)nc1.Cc1ccc(C(N)CCN2CCOCC2)nc1
InChIInChI=1S/C17H29N3O2S.C13H21N3O.C13H18N2O2.C11H14N2O2.C7H7NO2/c1-14-5-6-15(18-13-14)16(19-23(21)17(2,3)4)7-8-20-9-11-22-12-10-20;1-11-2-3-13(15-10-11)12(14)4-5-16-6-8-17-9-7-16;1-11-2-3-12(14-10-11)13(16)4-5-15-6-8-17-9-7-15;1-9-2-3-10(12-8-9)11(14)13-4-6-15-7-5-13;1-5-2-3-6(7(9)10)8-4-5/h5-6,13,16,19H,7-12H2,1-4H3;2-3,10,12H,4-9,14H2,1H3;2-3,10H,4-9H2,1H3;2-3,8H,4-7H2,1H3;2-4H,1H3,(H,9,10)/t16?,23-;;;;/m1..../s1
InChIKeyNQKSSQBKARSHCO-HFIJYVNASA-N
MW1152.52 g/mol
LogP6.56
Rot. Bonds16

About (R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-morpholin-4-ylmethanone;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-one

(R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-morpholin-4-ylmethanone;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-one (PubChem CID 159855091) has the molecular formula C61H89N11O9S and a molecular weight of 1152.52 g/mol. Its IUPAC name is (R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-morpholin-4-ylmethanone;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-morpholin-4-ylmethanone;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-one
PubChem CID159855091
Molecular FormulaC61H89N11O9S
Molecular Weight1152.52 g/mol
Exact Mass1151.66
IUPAC Name(R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-morpholin-4-ylmethanone;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-one
SMILESCc1ccc(C(=O)CCN2CCOCC2)nc1.Cc1ccc(C(=O)N2CCOCC2)nc1.Cc1ccc(C(=O)O)nc1.Cc1ccc(C(CCN2CCOCC2)N[S@](=O)C(C)(C)C)nc1.Cc1ccc(C(N)CCN2CCOCC2)nc1
InChIInChI=1S/C17H29N3O2S.C13H21N3O.C13H18N2O2.C11H14N2O2.C7H7NO2/c1-14-5-6-15(18-13-14)16(19-23(21)17(2,3)4)7-8-20-9-11-22-12-10-20;1-11-2-3-13(15-10-11)12(14)4-5-16-6-8-17-9-7-16;1-11-2-3-12(14-10-11)13(16)4-5-15-6-8-17-9-7-15;1-9-2-3-10(12-8-9)11(14)13-4-6-15-7-5-13;1-5-2-3-6(7(9)10)8-4-5/h5-6,13,16,19H,7-12H2,1-4H3;2-3,10,12H,4-9,14H2,1H3;2-3,10H,4-9H2,1H3;2-3,8H,4-7H2,1H3;2-4H,1H3,(H,9,10)/t16?,23-;;;;/m1..../s1
InChIKeyNQKSSQBKARSHCO-HFIJYVNASA-N
XLogP6.56
TPSA240.89 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001152.52
LogP ≤ 56.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze (R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-morpholin-4-ylmethanone;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

methane;[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine;N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid
CID 159323720
6-[[[2-[Bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyridine-3-carboxylic acid;2-[[2-[[5-[2-[bis(pyridin-2-ylmethyl)amino]ethylcarbamoyl]-2-pyridinyl]methyl-(carboxymethyl)amino]cyclohexyl]-(carboxylatomethyl)amino]acetate;tert-butyl 2-[[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexyl]-[[5-[2-[bis(pyridin-2-ylmethyl)amino]ethylcarbamoyl]-2-pyridinyl]methyl]amino]acetate;methane
CID 157080560
1-[5-(aminomethyl)-2-pyridinyl]-3-methylbutan-1-ol;1-[5-(aminomethyl)-2-pyridinyl]-3-methylbutan-1-one;1-[5-(azidomethyl)-2-pyridinyl]-3-methylbutan-1-one;tert-butyl N-[[6-(1-hydroxy-3-methylbutyl)-3-pyridinyl]methyl]carbamate;tert-butyl N-[[6-(3-methylbutanoyl)-3-pyridinyl]methyl]carbamate;1-[5-(hydroxymethyl)-2-pyridinyl]-3-methylbutan-1-one;hydrochloride
CID 157327069
(R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-piperidin-1-ylmethanone;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-one
CID 157442062
N-(2-aminoethyl)-4-methylpyridine-2-carboxamide;N-(6-aminohexyl)-4-methylpyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-4-methylpyridine-2-carboxamide;N,4-dimethylpyridine-2-carboxamide;N-(2-methoxyethyl)-4-methylpyridine-2-carboxamide;4-methyl-N-[2-(methylamino)ethyl]pyridine-2-carboxamide;2-[(4-methylpyridine-2-carbonyl)amino]acetic acid;4-methylpyridine-2-carboxamide;4-methylpyridine-2-carboxylic acid
CID 157625500
(3-methoxyazetidin-1-yl)-(5-methyl-2-pyridinyl)methanone;3-(3-methoxyazetidin-1-yl)-1-(5-methyl-2-pyridinyl)propan-1-amine;3-(3-methoxyazetidin-1-yl)-1-(5-methyl-2-pyridinyl)propan-1-one;(R)-N-[3-(3-methoxyazetidin-1-yl)-1-(5-methyl-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide;5-methylpyridine-2-carboxylic acid
CID 157791681
N-ethyl-N,5-dimethylpyridine-2-carboxamide;3-[ethyl(methyl)amino]-1-(5-methyl-2-pyridinyl)propan-1-one;(R)-N-[3-[ethyl(methyl)amino]-1-(5-methyl-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide;N'-ethyl-N'-methyl-1-(5-methyl-2-pyridinyl)propane-1,3-diamine;5-methylpyridine-2-carboxylic acid
CID 157793491
tert-butyl N-[3-amino-3-(5-methyl-2-pyridinyl)propyl]-N-methylcarbamate;tert-butyl N-[3-[[(R)-tert-butylsulfinyl]amino]-3-(5-methyl-2-pyridinyl)propyl]-N-methylcarbamate;tert-butyl N-methyl-N-[3-(5-methyl-2-pyridinyl)-3-oxopropyl]carbamate;(R)-N-[3-[methoxy(methyl)amino]-1-(5-methyl-2-pyridinyl)propylidene]-2-methylpropane-2-sulfinamide
CID 157798829
bis(4-[5-(aminomethyl)-3-methyl-2-pyridinyl]-1H-pyridin-2-one);[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid
CID 158132823
Octakis(carbon dioxide);ethyl 5-ethylpyridine-2-carboxylate;ethyl 6-ethylpyridine-2-carboxylate;bis(ethyl pyridine-2-carboxylate);5-ethylpyridine-2-carboxylic acid;methyl 6-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;pyridine-2-carboxylic acid
CID 158237161
4-Iodopyridine-2-carboxylic acid;bis(methyl 2-[(4-iodopyridine-2-carbonyl)amino]acetate);methyl 2-[[4-(4-methylphenyl)pyridine-2-carbonyl]amino]acetate
CID 158475531
magnesium;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)-morpholin-4-ylmethanone;(1S)-1-(4-bromo-2-pyridinyl)propan-1-amine;1-(4-bromo-2-pyridinyl)propan-1-one;(R)-N-[(1S)-1-(4-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide;deuterio(fluoro)methane;ethane;methanol;(R)-2-methylpropane-2-sulfinamide;oxolane;chloride;hydrochloride
CID 158751466

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-morpholin-4-ylmethanone;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-one?
The IUPAC name of (R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-morpholin-4-ylmethanone;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-one (CID 159855091) is (R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-morpholin-4-ylmethanone;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-morpholin-4-ylmethanone;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for (R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-morpholin-4-ylmethanone;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-one is Cc1ccc(C(=O)CCN2CCOCC2)nc1.Cc1ccc(C(=O)N2CCOCC2)nc1.Cc1ccc(C(=O)O)nc1.Cc1ccc(C(CCN2CCOCC2)N[S@](=O)C(C)(C)C)nc1.Cc1ccc(C(N)CCN2CCOCC2)nc1.
What is the InChIKey of (R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-morpholin-4-ylmethanone;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-one?
The InChIKey is NQKSSQBKARSHCO-HFIJYVNASA-N. The full InChI is InChI=1S/C17H29N3O2S.C13H21N3O.C13H18N2O2.C11H14N2O2.C7H7NO2/c1-14-5-6-15(18-13-14)16(19-23(21)17(2,3)4)7-8-20-9-11-22-12-10-20;1-11-2-3-13(15-10-11)12(14)4-5-16-6-8-17-9-7-16;1-11-2-3-12(14-10-11)13(16)4-5-15-6-8-17-9-7-15;1-9-2-3-10(12-8-9)11(14)13-4-6-15-7-5-13;1-5-2-3-6(7(9)10)8-4-5/h5-6,13,16,19H,7-12H2,1-4H3;2-3,10,12H,4-9,14H2,1H3;2-3,10H,4-9H2,1H3;2-3,8H,4-7H2,1H3;2-4H,1H3,(H,9,10)/t16?,23-;;;;/m1..../s1.
What are the key properties of (R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-morpholin-4-ylmethanone;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-one?
(R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-morpholin-4-ylmethanone;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-one has a molecular weight of 1152.52 g/mol, XLogP of 6.56, 16 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-morpholin-4-ylmethanone;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 159855091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).