N-(1-amino-1-sulfanylidenepropan-2-yl)-3-methylpyridine-2-carboxamide

C10H13N3OS — CID 62339475

IUPACN-(1-amino-1-sulfanylidenepropan-2-yl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC(C)C(N)=S
InChIInChI=1S/C10H13N3OS/c1-6-4-3-5-12-8(6)10(14)13-7(2)9(11)15/h3-5,7H,1-2H3,(H2,11,15)(H,13,14)
InChIKeyGLXVIUHUPRYXDM-UHFFFAOYSA-N
MW223.30 g/mol
LogP0.79
Rot. Bonds3

About N-(1-amino-1-sulfanylidenepropan-2-yl)-3-methylpyridine-2-carboxamide

N-(1-amino-1-sulfanylidenepropan-2-yl)-3-methylpyridine-2-carboxamide (PubChem CID 62339475) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepropan-2-yl)-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepropan-2-yl)-3-methylpyridine-2-carboxamide
PubChem CID62339475
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC NameN-(1-amino-1-sulfanylidenepropan-2-yl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC(C)C(N)=S
InChIInChI=1S/C10H13N3OS/c1-6-4-3-5-12-8(6)10(14)13-7(2)9(11)15/h3-5,7H,1-2H3,(H2,11,15)(H,13,14)
InChIKeyGLXVIUHUPRYXDM-UHFFFAOYSA-N
XLogP0.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 50.79
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

N-(1-aminoethyl)-3-methylpyridine-2-carboxamide
CID 173067121
N-(1-hydroxypropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62341368
N-(4-aminobutan-2-yl)-3-methylpyridine-2-carboxamide
CID 62340960
N-(4-hydroxybutan-2-yl)-3-methylpyridine-2-carboxamide
CID 115283439
(2R)-3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 79011144
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methylpyridine-2-carboxamide
CID 76940244
(2S,3R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 94402027
methyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate
CID 62338800
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-hydroxy-3-methylbenzamide
CID 61119089
N-(1-bromo-4-methylpentan-2-yl)-3-methylpyridine-2-carboxamide
CID 114311647
2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63615241
N-[(2S)-1-hydroxybutan-2-yl]-3-methylpyridine-2-carboxamide
CID 104981219

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)-3-methylpyridine-2-carboxamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)-3-methylpyridine-2-carboxamide (CID 62339475) is N-(1-amino-1-sulfanylidenepropan-2-yl)-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepropan-2-yl)-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepropan-2-yl)-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)NC(C)C(N)=S.
What is the InChIKey of N-(1-amino-1-sulfanylidenepropan-2-yl)-3-methylpyridine-2-carboxamide?
The InChIKey is GLXVIUHUPRYXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-6-4-3-5-12-8(6)10(14)13-7(2)9(11)15/h3-5,7H,1-2H3,(H2,11,15)(H,13,14).
What are the key properties of N-(1-amino-1-sulfanylidenepropan-2-yl)-3-methylpyridine-2-carboxamide?
N-(1-amino-1-sulfanylidenepropan-2-yl)-3-methylpyridine-2-carboxamide has a molecular weight of 223.30 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepropan-2-yl)-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 62339475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).