N-(2-amino-2-sulfanylideneethyl)-3-methyl-N-propylpyridine-2-carboxamide

C12H17N3OS — CID 62338785

IUPACN-(2-amino-2-sulfanylideneethyl)-3-methyl-N-propylpyridine-2-carboxamide
SMILESCCCN(CC(N)=S)C(=O)c1ncccc1C
InChIInChI=1S/C12H17N3OS/c1-3-7-15(8-10(13)17)12(16)11-9(2)5-4-6-14-11/h4-6H,3,7-8H2,1-2H3,(H2,13,17)
InChIKeyPEJJCQQSLCATKI-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.53
Rot. Bonds5

About N-(2-amino-2-sulfanylideneethyl)-3-methyl-N-propylpyridine-2-carboxamide

N-(2-amino-2-sulfanylideneethyl)-3-methyl-N-propylpyridine-2-carboxamide (PubChem CID 62338785) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-3-methyl-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-3-methyl-N-propylpyridine-2-carboxamide
PubChem CID62338785
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-3-methyl-N-propylpyridine-2-carboxamide
SMILESCCCN(CC(N)=S)C(=O)c1ncccc1C
InChIInChI=1S/C12H17N3OS/c1-3-7-15(8-10(13)17)12(16)11-9(2)5-4-6-14-11/h4-6H,3,7-8H2,1-2H3,(H2,13,17)
InChIKeyPEJJCQQSLCATKI-UHFFFAOYSA-N
XLogP1.53
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-ethyl-N-propylpyridine-2-carboxamide
CID 104741010
N-(2-amino-2-sulfanylideneethyl)-3-hydroxy-N-propylpyridine-4-carboxamide
CID 81445579
N-[(4-aminophenyl)methyl]-N-ethyl-3-methylpyridine-2-carboxamide
CID 62340438
N-(2-amino-2-sulfanylideneethyl)-3-chloro-2-methyl-N-propylbenzamide
CID 107096826
N-(1-aminopropan-2-yl)-N,3-dimethylpyridine-2-carboxamide
CID 82507395
N-(2-amino-2-sulfanylideneethyl)-1-methyl-N-propylpyrazole-3-carboxamide
CID 103117952
N-(2-amino-2-sulfanylideneethyl)-N-propyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908478
N-[(3-aminophenyl)methyl]-N-ethyl-3-methylpyridine-2-carboxamide
CID 62340614
3-amino-N-propyl-N-prop-2-ynylpyridine-2-carboxamide
CID 104742747
N-(2-amino-2-sulfanylideneethyl)-5-bromo-4-methyl-N-propylthiophene-2-carboxamide
CID 79990343
N-[(2-aminophenyl)methyl]-3-bromo-N-propylpyridine-2-carboxamide
CID 107516856
2-[2-(dimethylamino)ethyl-propylcarbamoyl]pyridine-3-carboxylic acid
CID 63614113

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-3-methyl-N-propylpyridine-2-carboxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-3-methyl-N-propylpyridine-2-carboxamide (CID 62338785) is N-(2-amino-2-sulfanylideneethyl)-3-methyl-N-propylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-3-methyl-N-propylpyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-3-methyl-N-propylpyridine-2-carboxamide is CCCN(CC(N)=S)C(=O)c1ncccc1C.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-3-methyl-N-propylpyridine-2-carboxamide?
The InChIKey is PEJJCQQSLCATKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-3-7-15(8-10(13)17)12(16)11-9(2)5-4-6-14-11/h4-6H,3,7-8H2,1-2H3,(H2,13,17).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-3-methyl-N-propylpyridine-2-carboxamide?
N-(2-amino-2-sulfanylideneethyl)-3-methyl-N-propylpyridine-2-carboxamide has a molecular weight of 251.35 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-3-methyl-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 62338785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).