N,N-dimethyl-6-[[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]amino]pyridine-3-sulfonamide

C17H29N5O3S — CID 73425522

IUPACN,N-dimethyl-6-[[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]amino]pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCC(C)(C)NCC(=O)N2CCCC2)nc1
InChIInChI=1S/C17H29N5O3S/c1-17(2,20-12-16(23)22-9-5-6-10-22)13-19-15-8-7-14(11-18-15)26(24,25)21(3)4/h7-8,11,20H,5-6,9-10,12-13H2,1-4H3,(H,18,19)
InChIKeyFWFWZPVKWOUPRS-UHFFFAOYSA-N
MW383.52 g/mol
LogP0.73
Rot. Bonds8

About N,N-dimethyl-6-[[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]amino]pyridine-3-sulfonamide

N,N-dimethyl-6-[[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]amino]pyridine-3-sulfonamide (PubChem CID 73425522) has the molecular formula C17H29N5O3S and a molecular weight of 383.52 g/mol. Its IUPAC name is N,N-dimethyl-6-[[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]amino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]amino]pyridine-3-sulfonamide
PubChem CID73425522
Molecular FormulaC17H29N5O3S
Molecular Weight383.52 g/mol
Exact Mass383.20
IUPAC NameN,N-dimethyl-6-[[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]amino]pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCC(C)(C)NCC(=O)N2CCCC2)nc1
InChIInChI=1S/C17H29N5O3S/c1-17(2,20-12-16(23)22-9-5-6-10-22)13-19-15-8-7-14(11-18-15)26(24,25)21(3)4/h7-8,11,20H,5-6,9-10,12-13H2,1-4H3,(H,18,19)
InChIKeyFWFWZPVKWOUPRS-UHFFFAOYSA-N
XLogP0.73
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]amino]pyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-6-[[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]amino]pyridine-3-sulfonamide (CID 73425522) is N,N-dimethyl-6-[[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]amino]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-6-[[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]amino]pyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-[[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]amino]pyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(NCC(C)(C)NCC(=O)N2CCCC2)nc1.
What is the InChIKey of N,N-dimethyl-6-[[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]amino]pyridine-3-sulfonamide?
The InChIKey is FWFWZPVKWOUPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3S/c1-17(2,20-12-16(23)22-9-5-6-10-22)13-19-15-8-7-14(11-18-15)26(24,25)21(3)4/h7-8,11,20H,5-6,9-10,12-13H2,1-4H3,(H,18,19).
What are the key properties of N,N-dimethyl-6-[[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]amino]pyridine-3-sulfonamide?
N,N-dimethyl-6-[[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]amino]pyridine-3-sulfonamide has a molecular weight of 383.52 g/mol, XLogP of 0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]amino]pyridine-3-sulfonamide is sourced from PubChem (CID 73425522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).