N-(2,4-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide

C19H23N3O5S — CID 5308855

IUPACN-(2,4-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)c(OC)c1
InChIInChI=1S/C19H23N3O5S/c1-26-15-7-8-17(18(11-15)27-2)21-19(23)14-5-4-10-22(13-14)28(24,25)16-6-3-9-20-12-16/h3,6-9,11-12,14H,4-5,10,13H2,1-2H3,(H,21,23)
InChIKeyJTTXGKATGAXNDY-UHFFFAOYSA-N
MW405.48 g/mol
LogP2.14
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide

N-(2,4-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide (PubChem CID 5308855) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
PubChem CID5308855
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC NameN-(2,4-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)c(OC)c1
InChIInChI=1S/C19H23N3O5S/c1-26-15-7-8-17(18(11-15)27-2)21-19(23)14-5-4-10-22(13-14)28(24,25)16-6-3-9-20-12-16/h3,6-9,11-12,14H,4-5,10,13H2,1-2H3,(H,21,23)
InChIKeyJTTXGKATGAXNDY-UHFFFAOYSA-N
XLogP2.14
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide (CID 5308855) is N-(2,4-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is JTTXGKATGAXNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-26-15-7-8-17(18(11-15)27-2)21-19(23)14-5-4-10-22(13-14)28(24,25)16-6-3-9-20-12-16/h3,6-9,11-12,14H,4-5,10,13H2,1-2H3,(H,21,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
N-(2,4-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 5308855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).