N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide

C19H22ClN3O4S — CID 4653996

IUPACN-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C19H22ClN3O4S/c1-2-27-19-15(7-6-10-21-19)18(24)22-17-13-14(8-9-16(17)20)28(25,26)23-11-4-3-5-12-23/h6-10,13H,2-5,11-12H2,1H3,(H,22,24)
InChIKeyIVBZBCBCXBMDKN-UHFFFAOYSA-N
MW423.92 g/mol
LogP3.56
Rot. Bonds6

About N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide

N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide (PubChem CID 4653996) has the molecular formula C19H22ClN3O4S and a molecular weight of 423.92 g/mol. Its IUPAC name is N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide
PubChem CID4653996
Molecular FormulaC19H22ClN3O4S
Molecular Weight423.92 g/mol
Exact Mass423.10
IUPAC NameN-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C19H22ClN3O4S/c1-2-27-19-15(7-6-10-21-19)18(24)22-17-13-14(8-9-16(17)20)28(25,26)23-11-4-3-5-12-23/h6-10,13H,2-5,11-12H2,1H3,(H,22,24)
InChIKeyIVBZBCBCXBMDKN-UHFFFAOYSA-N
XLogP3.56
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.92
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide (CID 4653996) is N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide?
The InChIKey is IVBZBCBCXBMDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O4S/c1-2-27-19-15(7-6-10-21-19)18(24)22-17-13-14(8-9-16(17)20)28(25,26)23-11-4-3-5-12-23/h6-10,13H,2-5,11-12H2,1H3,(H,22,24).
What are the key properties of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide?
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide has a molecular weight of 423.92 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 4653996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).