methyl 2-methyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]pyridine-3-carboxylate

C18H22N2O4S — CID 167908776

IUPACmethyl 2-methyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N(C)C(C)c2ccc(S(C)(=O)=O)cc2)nc1C
InChIInChI=1S/C18H22N2O4S/c1-12-16(18(21)24-4)10-11-17(19-12)20(3)13(2)14-6-8-15(9-7-14)25(5,22)23/h6-11,13H,1-5H3
InChIKeyZJCUVDMOAARBSQ-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.78
Rot. Bonds5

About methyl 2-methyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]pyridine-3-carboxylate

methyl 2-methyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]pyridine-3-carboxylate (PubChem CID 167908776) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is methyl 2-methyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]pyridine-3-carboxylate
PubChem CID167908776
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Namemethyl 2-methyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N(C)C(C)c2ccc(S(C)(=O)=O)cc2)nc1C
InChIInChI=1S/C18H22N2O4S/c1-12-16(18(21)24-4)10-11-17(19-12)20(3)13(2)14-6-8-15(9-7-14)25(5,22)23/h6-11,13H,1-5H3
InChIKeyZJCUVDMOAARBSQ-UHFFFAOYSA-N
XLogP2.78
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-methyl-6-(N-methylanilino)pyridine-3-carboxylate
CID 102546113
methyl 2-methyl-6-propan-2-ylpyridine-3-carboxylate
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methyl 6-[1-(4-fluorophenyl)ethyl-methylamino]pyridazine-3-carboxylate
CID 133350668
N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 42945819
2-(4-methoxyphenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 75870188
methyl 6-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-methylpyridine-3-carboxylate
CID 103111674
methyl 4-chloro-2-[1-(4-methylsulfonylphenyl)ethylamino]-1,3-thiazole-5-carboxylate
CID 51124729
methyl 2-methyl-5-methylsulfonyl-3-propan-2-ylbenzoate
CID 140981692
N,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95976164
N,2-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]furan-3-carboxamide
CID 56684324
2-(dimethylamino)-4-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrimidine-5-carboxamide
CID 72939948
methyl 2-iodo-4-methylsulfonylbenzoate
CID 66877977

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-methyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]pyridine-3-carboxylate (CID 167908776) is methyl 2-methyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]pyridine-3-carboxylate is COC(=O)c1ccc(N(C)C(C)c2ccc(S(C)(=O)=O)cc2)nc1C.
What is the InChIKey of methyl 2-methyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]pyridine-3-carboxylate?
The InChIKey is ZJCUVDMOAARBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-12-16(18(21)24-4)10-11-17(19-12)20(3)13(2)14-6-8-15(9-7-14)25(5,22)23/h6-11,13H,1-5H3.
What are the key properties of methyl 2-methyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]pyridine-3-carboxylate?
methyl 2-methyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]pyridine-3-carboxylate has a molecular weight of 362.45 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 167908776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).