3-acetamido-N-[2-(propan-2-ylsulfamoylamino)ethyl]pyridine-2-carboxamide

C13H21N5O4S — CID 138013292

IUPAC3-acetamido-N-[2-(propan-2-ylsulfamoylamino)ethyl]pyridine-2-carboxamide
SMILESCC(=O)Nc1cccnc1C(=O)NCCNS(=O)(=O)NC(C)C
InChIInChI=1S/C13H21N5O4S/c1-9(2)18-23(21,22)16-8-7-15-13(20)12-11(17-10(3)19)5-4-6-14-12/h4-6,9,16,18H,7-8H2,1-3H3,(H,15,20)(H,17,19)
InChIKeyHWMWLBHMPVKBNK-UHFFFAOYSA-N
MW343.41 g/mol
LogP-0.40
Rot. Bonds8

About 3-acetamido-N-[2-(propan-2-ylsulfamoylamino)ethyl]pyridine-2-carboxamide

3-acetamido-N-[2-(propan-2-ylsulfamoylamino)ethyl]pyridine-2-carboxamide (PubChem CID 138013292) has the molecular formula C13H21N5O4S and a molecular weight of 343.41 g/mol. Its IUPAC name is 3-acetamido-N-[2-(propan-2-ylsulfamoylamino)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(propan-2-ylsulfamoylamino)ethyl]pyridine-2-carboxamide
PubChem CID138013292
Molecular FormulaC13H21N5O4S
Molecular Weight343.41 g/mol
Exact Mass343.13
IUPAC Name3-acetamido-N-[2-(propan-2-ylsulfamoylamino)ethyl]pyridine-2-carboxamide
SMILESCC(=O)Nc1cccnc1C(=O)NCCNS(=O)(=O)NC(C)C
InChIInChI=1S/C13H21N5O4S/c1-9(2)18-23(21,22)16-8-7-15-13(20)12-11(17-10(3)19)5-4-6-14-12/h4-6,9,16,18H,7-8H2,1-3H3,(H,15,20)(H,17,19)
InChIKeyHWMWLBHMPVKBNK-UHFFFAOYSA-N
XLogP-0.40
TPSA129.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
CID 104741062
N-methyl-3-(propan-2-ylamino)pyridine-2-carboxamide
CID 176808648
3-(propylsulfamoylamino)pyridine-2-carboxylic acid
CID 114807104
N-[2-(1-hydroxyethyl)-3-pyridinyl]acetamide
CID 133062279
3-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 54861412
3-hydroxy-N-[2-(2-hydroxypropylamino)ethyl]pyridine-2-carboxamide
CID 113430399
N-[2-[(2-amino-3-pyridinyl)sulfonylamino]ethyl]acetamide
CID 62146437
3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 104741450
N-(2-hydroxypropyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide
CID 11595469
3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid
CID 104740180
N-(1-hydroxypropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62341368
3-(3-aminoprop-1-ynyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide
CID 107524732

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(propan-2-ylsulfamoylamino)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-acetamido-N-[2-(propan-2-ylsulfamoylamino)ethyl]pyridine-2-carboxamide (CID 138013292) is 3-acetamido-N-[2-(propan-2-ylsulfamoylamino)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-acetamido-N-[2-(propan-2-ylsulfamoylamino)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-acetamido-N-[2-(propan-2-ylsulfamoylamino)ethyl]pyridine-2-carboxamide is CC(=O)Nc1cccnc1C(=O)NCCNS(=O)(=O)NC(C)C.
What is the InChIKey of 3-acetamido-N-[2-(propan-2-ylsulfamoylamino)ethyl]pyridine-2-carboxamide?
The InChIKey is HWMWLBHMPVKBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O4S/c1-9(2)18-23(21,22)16-8-7-15-13(20)12-11(17-10(3)19)5-4-6-14-12/h4-6,9,16,18H,7-8H2,1-3H3,(H,15,20)(H,17,19).
What are the key properties of 3-acetamido-N-[2-(propan-2-ylsulfamoylamino)ethyl]pyridine-2-carboxamide?
3-acetamido-N-[2-(propan-2-ylsulfamoylamino)ethyl]pyridine-2-carboxamide has a molecular weight of 343.41 g/mol, XLogP of -0.40, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(propan-2-ylsulfamoylamino)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 138013292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).