N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C19H23N3O4S — CID 20851619

IUPACN-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C19H23N3O4S/c1-14-5-6-18(26-2)17(12-14)21-19(23)15-7-10-22(11-8-15)27(24,25)16-4-3-9-20-13-16/h3-6,9,12-13,15H,7-8,10-11H2,1-2H3,(H,21,23)
InChIKeyUIJNHORIPYVUSJ-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.44
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 20851619) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID20851619
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C19H23N3O4S/c1-14-5-6-18(26-2)17(12-14)21-19(23)15-7-10-22(11-8-15)27(24,25)16-4-3-9-20-13-16/h3-6,9,12-13,15H,7-8,10-11H2,1-2H3,(H,21,23)
InChIKeyUIJNHORIPYVUSJ-UHFFFAOYSA-N
XLogP2.44
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55671038
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 1088323
N-(3-chloro-4-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 5309136
N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 893526
N-(2-methoxy-5-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26414036
1-pyridin-3-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 20851608
1-(4-ethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 31287920
1-(benzenesulfonyl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 2985320
N-(2-methoxy-5-methylphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide
CID 53024421
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 53076020
N-(2-methoxy-5-methylphenyl)-1-propylsulfonylpiperidine-4-carboxamide
CID 113007617
N-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 20851605

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 20851619) is N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is UIJNHORIPYVUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-14-5-6-18(26-2)17(12-14)21-19(23)15-7-10-22(11-8-15)27(24,25)16-4-3-9-20-13-16/h3-6,9,12-13,15H,7-8,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 20851619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).