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

C19H23N3O4S — CID 20855565

IUPACN-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCCN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C19H23N3O4S/c1-14-7-8-18(26-2)17(11-14)21-19(23)15-5-4-10-22(13-15)27(24,25)16-6-3-9-20-12-16/h3,6-9,11-12,15H,4-5,10,13H2,1-2H3,(H,21,23)
InChIKeyQIXNPSNAADHJOG-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.44
Rot. Bonds5

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

N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide (PubChem CID 20855565) 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-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
PubChem CID20855565
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCCN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C19H23N3O4S/c1-14-7-8-18(26-2)17(11-14)21-19(23)15-5-4-10-22(13-15)27(24,25)16-6-3-9-20-12-16/h3,6-9,11-12,15H,4-5,10,13H2,1-2H3,(H,21,23)
InChIKeyQIXNPSNAADHJOG-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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide (CID 20855565) is N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide is COc1ccc(C)cc1NC(=O)C1CCCN(S(=O)(=O)c2cccnc2)C1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is QIXNPSNAADHJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-14-7-8-18(26-2)17(11-14)21-19(23)15-5-4-10-22(13-15)27(24,25)16-6-3-9-20-12-16/h3,6-9,11-12,15H,4-5,10,13H2,1-2H3,(H,21,23).
What are the key properties of N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-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-3-carboxamide is sourced from PubChem (CID 20855565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).