methyl 6-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)carbamoyl]pyridine-3-carboxylate

C22H27N3O6S — CID 30748288

IUPACmethyl 6-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)nc1
InChIInChI=1S/C22H27N3O6S/c1-15(2)31-20-10-8-17(32(28,29)25-11-5-4-6-12-25)13-19(20)24-21(26)18-9-7-16(14-23-18)22(27)30-3/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,24,26)
InChIKeyKWPOSYONTLXIDY-UHFFFAOYSA-N
MW461.54 g/mol
LogP3.08
Rot. Bonds7

About methyl 6-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)carbamoyl]pyridine-3-carboxylate

methyl 6-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)carbamoyl]pyridine-3-carboxylate (PubChem CID 30748288) has the molecular formula C22H27N3O6S and a molecular weight of 461.54 g/mol. Its IUPAC name is methyl 6-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)carbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)carbamoyl]pyridine-3-carboxylate
PubChem CID30748288
Molecular FormulaC22H27N3O6S
Molecular Weight461.54 g/mol
Exact Mass461.16
IUPAC Namemethyl 6-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)nc1
InChIInChI=1S/C22H27N3O6S/c1-15(2)31-20-10-8-17(32(28,29)25-11-5-4-6-12-25)13-19(20)24-21(26)18-9-7-16(14-23-18)22(27)30-3/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,24,26)
InChIKeyKWPOSYONTLXIDY-UHFFFAOYSA-N
XLogP3.08
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)carbamoyl]pyridine-3-carboxylate with MolForge

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Related Compounds

N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-4-(trifluoromethyl)benzamide
CID 5110890
methyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
CID 26265691
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 55684681
N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclobutanecarboxamide
CID 7761073
5-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)thiophene-2-carboxamide
CID 26265454
5-bromo-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)thiophene-2-carboxamide
CID 26265446
2-methylsulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
CID 43077603
3-cyano-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide
CID 29457912
cis-(1S,2R)-2-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 26265477
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 26065836
4-(difluoromethoxy)-3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 26065662
methyl 4-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
CID 7695652

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)carbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)carbamoyl]pyridine-3-carboxylate (CID 30748288) is methyl 6-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)carbamoyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)nc1.
What is the InChIKey of methyl 6-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)carbamoyl]pyridine-3-carboxylate?
The InChIKey is KWPOSYONTLXIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6S/c1-15(2)31-20-10-8-17(32(28,29)25-11-5-4-6-12-25)13-19(20)24-21(26)18-9-7-16(14-23-18)22(27)30-3/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,24,26).
What are the key properties of methyl 6-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)carbamoyl]pyridine-3-carboxylate?
methyl 6-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)carbamoyl]pyridine-3-carboxylate has a molecular weight of 461.54 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)carbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 30748288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).