methyl 6-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]pyridine-3-carboxylate

C20H23N3O5S — CID 43049761

IUPACmethyl 6-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)nc1
InChIInChI=1S/C20H23N3O5S/c1-14-4-3-11-23(13-14)29(26,27)17-8-6-16(7-9-17)22-19(24)18-10-5-15(12-21-18)20(25)28-2/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,22,24)
InChIKeyKOXIPMBCRLBITH-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.54
Rot. Bonds5

About methyl 6-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]pyridine-3-carboxylate

methyl 6-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]pyridine-3-carboxylate (PubChem CID 43049761) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is methyl 6-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]pyridine-3-carboxylate
PubChem CID43049761
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Namemethyl 6-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)nc1
InChIInChI=1S/C20H23N3O5S/c1-14-4-3-11-23(13-14)29(26,27)17-8-6-16(7-9-17)22-19(24)18-10-5-15(12-21-18)20(25)28-2/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,22,24)
InChIKeyKOXIPMBCRLBITH-UHFFFAOYSA-N
XLogP2.54
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311372
3,4,5-trimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311736
3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311561
N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]quinoline-2-carboxamide
CID 42998438
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-methylsulfanylphenyl)benzamide
CID 16811498
N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55477863
2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311381
methyl 4-[[[4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate
CID 41210171
5-chloro-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-propan-2-ylsulfanylpyrimidine-4-carboxamide
CID 40776180
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]pyridine-3-carboxylate (CID 43049761) is methyl 6-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)nc1.
What is the InChIKey of methyl 6-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]pyridine-3-carboxylate?
The InChIKey is KOXIPMBCRLBITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-14-4-3-11-23(13-14)29(26,27)17-8-6-16(7-9-17)22-19(24)18-10-5-15(12-21-18)20(25)28-2/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,22,24).
What are the key properties of methyl 6-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]pyridine-3-carboxylate?
methyl 6-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]pyridine-3-carboxylate has a molecular weight of 417.49 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 43049761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).