N-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide

C11H15N3O2S — CID 114040133

IUPACN-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide
SMILESCC(C)N(CC(N)=S)C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C11H15N3O2S/c1-7(2)14(6-9(12)17)11(16)8-4-3-5-10(15)13-8/h3-5,7H,6H2,1-2H3,(H2,12,17)(H,13,15)
InChIKeyBLFLYWVLTQJCGW-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.51
Rot. Bonds4

About N-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide

N-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide (PubChem CID 114040133) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide
PubChem CID114040133
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide
SMILESCC(C)N(CC(N)=S)C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C11H15N3O2S/c1-7(2)14(6-9(12)17)11(16)8-4-3-5-10(15)13-8/h3-5,7H,6H2,1-2H3,(H2,12,17)(H,13,15)
InChIKeyBLFLYWVLTQJCGW-UHFFFAOYSA-N
XLogP0.51
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-N-(propan-2-yl)pyridine-2-carboxamide
CID 15334838
2-(3-acetamido-2-oxo-1-pyridinyl)-N-propan-2-ylacetamide
CID 45268243
N~2~-methyl-N~1~-[3-(6-methyl-2-oxopyridin-1(2H)-yl)propyl]-L-alaninamide
CID 91828411
N-(1-Methyl-2-oxo-1,2-dihydro-3-pyridinyl)acetamide
CID 326860
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]acetamide
CID 81308729
6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-2-carboxamide
CID 114040327
N,N-dimethyl-6-oxo-1H-pyridine-2-carboxamide
CID 20518103
3-(Methylamino)-1-propan-2-ylpyridin-2-one
CID 21057219
N-(1-ethyl-6-oxo-3-pyridinyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 47341834
N-methyl-2-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide
CID 54459493
2-(3-Acetamido-2-oxo-1-pyridinyl)acetamide
CID 58664518
2-(methylamino)-N-[(6-oxo-1H-pyridin-2-yl)methyl]acetamide
CID 58786290

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide (CID 114040133) is N-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide is CC(C)N(CC(N)=S)C(=O)c1cccc(=O)[nH]1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide?
The InChIKey is BLFLYWVLTQJCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-7(2)14(6-9(12)17)11(16)8-4-3-5-10(15)13-8/h3-5,7H,6H2,1-2H3,(H2,12,17)(H,13,15).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide?
N-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide has a molecular weight of 253.33 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide is sourced from PubChem (CID 114040133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).