N,N-diethyl-1-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyridine-5-carboxamide

C17H25N3O4S — CID 11639227

IUPACN,N-diethyl-1-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyridine-5-carboxamide
SMILESCCN(CC)C(=O)C1=CCCN(NS(=O)(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C17H25N3O4S/c1-4-19(5-2)17(21)14-7-6-12-20(13-14)18-25(22,23)16-10-8-15(24-3)9-11-16/h7-11,18H,4-6,12-13H2,1-3H3
InChIKeyAUOCOUORKXUPDR-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.39
Rot. Bonds7

About N,N-diethyl-1-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyridine-5-carboxamide

N,N-diethyl-1-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyridine-5-carboxamide (PubChem CID 11639227) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N,N-diethyl-1-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyridine-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyridine-5-carboxamide
PubChem CID11639227
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN,N-diethyl-1-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyridine-5-carboxamide
SMILESCCN(CC)C(=O)C1=CCCN(NS(=O)(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C17H25N3O4S/c1-4-19(5-2)17(21)14-7-6-12-20(13-14)18-25(22,23)16-10-8-15(24-3)9-11-16/h7-11,18H,4-6,12-13H2,1-3H3
InChIKeyAUOCOUORKXUPDR-UHFFFAOYSA-N
XLogP1.39
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyridine-5-carboxamide?
The IUPAC name of N,N-diethyl-1-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyridine-5-carboxamide (CID 11639227) is N,N-diethyl-1-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyridine-5-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyridine-5-carboxamide?
The canonical SMILES for N,N-diethyl-1-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyridine-5-carboxamide is CCN(CC)C(=O)C1=CCCN(NS(=O)(=O)c2ccc(OC)cc2)C1.
What is the InChIKey of N,N-diethyl-1-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyridine-5-carboxamide?
The InChIKey is AUOCOUORKXUPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-4-19(5-2)17(21)14-7-6-12-20(13-14)18-25(22,23)16-10-8-15(24-3)9-11-16/h7-11,18H,4-6,12-13H2,1-3H3.
What are the key properties of N,N-diethyl-1-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyridine-5-carboxamide?
N,N-diethyl-1-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyridine-5-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyridine-5-carboxamide is sourced from PubChem (CID 11639227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).