N-[3-(methanesulfonamido)propyl]-2-oxo-1H-pyridine-3-carboxamide

C10H15N3O4S — CID 38421914

IUPACN-[3-(methanesulfonamido)propyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCS(=O)(=O)NCCCNC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C10H15N3O4S/c1-18(16,17)13-7-3-6-12-10(15)8-4-2-5-11-9(8)14/h2,4-5,13H,3,6-7H2,1H3,(H,11,14)(H,12,15)
InChIKeyQBZUZYZYXGBSNS-UHFFFAOYSA-N
MW273.31 g/mol
LogP-0.96
Rot. Bonds6

About N-[3-(methanesulfonamido)propyl]-2-oxo-1H-pyridine-3-carboxamide

N-[3-(methanesulfonamido)propyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 38421914) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)propyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)propyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID38421914
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC NameN-[3-(methanesulfonamido)propyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCS(=O)(=O)NCCCNC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C10H15N3O4S/c1-18(16,17)13-7-3-6-12-10(15)8-4-2-5-11-9(8)14/h2,4-5,13H,3,6-7H2,1H3,(H,11,14)(H,12,15)
InChIKeyQBZUZYZYXGBSNS-UHFFFAOYSA-N
XLogP-0.96
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)propyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-(methanesulfonamido)propyl]-2-oxo-1H-pyridine-3-carboxamide (CID 38421914) is N-[3-(methanesulfonamido)propyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(methanesulfonamido)propyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-(methanesulfonamido)propyl]-2-oxo-1H-pyridine-3-carboxamide is CS(=O)(=O)NCCCNC(=O)c1ccc[nH]c1=O.
What is the InChIKey of N-[3-(methanesulfonamido)propyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is QBZUZYZYXGBSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-18(16,17)13-7-3-6-12-10(15)8-4-2-5-11-9(8)14/h2,4-5,13H,3,6-7H2,1H3,(H,11,14)(H,12,15).
What are the key properties of N-[3-(methanesulfonamido)propyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[3-(methanesulfonamido)propyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 273.31 g/mol, XLogP of -0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)propyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 38421914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).