N-[(2R)-1,3-diamino-1-oxo-3-sulfanylidenepropan-2-yl]pyridine-4-carboxamide

C9H10N4O2S — CID 92864050

IUPACN-[(2R)-1,3-diamino-1-oxo-3-sulfanylidenepropan-2-yl]pyridine-4-carboxamide
SMILESNC(=O)[C@@H](NC(=O)c1ccncc1)C(N)=S
InChIInChI=1S/C9H10N4O2S/c10-7(14)6(8(11)16)13-9(15)5-1-3-12-4-2-5/h1-4,6H,(H2,10,14)(H2,11,16)(H,13,15)/t6-/m1/s1
InChIKeyZCGGNTBIIBRGNE-ZCFIWIBFSA-N
MW238.27 g/mol
LogP-1.05
Rot. Bonds4

About N-[(2R)-1,3-diamino-1-oxo-3-sulfanylidenepropan-2-yl]pyridine-4-carboxamide

N-[(2R)-1,3-diamino-1-oxo-3-sulfanylidenepropan-2-yl]pyridine-4-carboxamide (PubChem CID 92864050) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is N-[(2R)-1,3-diamino-1-oxo-3-sulfanylidenepropan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1,3-diamino-1-oxo-3-sulfanylidenepropan-2-yl]pyridine-4-carboxamide
PubChem CID92864050
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC NameN-[(2R)-1,3-diamino-1-oxo-3-sulfanylidenepropan-2-yl]pyridine-4-carboxamide
SMILESNC(=O)[C@@H](NC(=O)c1ccncc1)C(N)=S
InChIInChI=1S/C9H10N4O2S/c10-7(14)6(8(11)16)13-9(15)5-1-3-12-4-2-5/h1-4,6H,(H2,10,14)(H2,11,16)(H,13,15)/t6-/m1/s1
InChIKeyZCGGNTBIIBRGNE-ZCFIWIBFSA-N
XLogP-1.05
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2R)-1,3-diamino-1-oxo-3-sulfanylidenepropan-2-yl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-3-methyl-1-oxobutan-2-yl)pyridine-4-carboxamide
CID 77389901
N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide
CID 75523855
N-pentan-3-ylpyridine-4-carboxamide
CID 137320352
CID 69045386
CID 69045386
pyridine-4-carbohydrazide;trihydrate;hydrochloride
CID 67630424
N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide
CID 43297585
methyl 3-hydroxy-2-(pyridine-4-carbonylamino)propanoate
CID 43407026
N-(5-methylhexan-2-yl)pyridine-4-carboxamide
CID 42890124
2-[[4-(dimethylamino)benzoyl]amino]propanediamide
CID 25471332
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
N-(4-chlorobutan-2-yl)pyridine-4-carboxamide
CID 83178432
N-(2-amino-1-pyridin-4-yl-2-sulfanylideneethyl)acetamide
CID 82113206

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1,3-diamino-1-oxo-3-sulfanylidenepropan-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(2R)-1,3-diamino-1-oxo-3-sulfanylidenepropan-2-yl]pyridine-4-carboxamide (CID 92864050) is N-[(2R)-1,3-diamino-1-oxo-3-sulfanylidenepropan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2R)-1,3-diamino-1-oxo-3-sulfanylidenepropan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2R)-1,3-diamino-1-oxo-3-sulfanylidenepropan-2-yl]pyridine-4-carboxamide is NC(=O)[C@@H](NC(=O)c1ccncc1)C(N)=S.
What is the InChIKey of N-[(2R)-1,3-diamino-1-oxo-3-sulfanylidenepropan-2-yl]pyridine-4-carboxamide?
The InChIKey is ZCGGNTBIIBRGNE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H10N4O2S/c10-7(14)6(8(11)16)13-9(15)5-1-3-12-4-2-5/h1-4,6H,(H2,10,14)(H2,11,16)(H,13,15)/t6-/m1/s1.
What are the key properties of N-[(2R)-1,3-diamino-1-oxo-3-sulfanylidenepropan-2-yl]pyridine-4-carboxamide?
N-[(2R)-1,3-diamino-1-oxo-3-sulfanylidenepropan-2-yl]pyridine-4-carboxamide has a molecular weight of 238.27 g/mol, XLogP of -1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1,3-diamino-1-oxo-3-sulfanylidenepropan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 92864050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).