N-[2-(dimethylamino)ethyl]-N-ethyl-2-sulfanylidene-1H-pyridine-3-carboxamide

C12H19N3OS — CID 88537773

IUPACN-[2-(dimethylamino)ethyl]-N-ethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCCN(CCN(C)C)C(=O)c1ccc[nH]c1=S
InChIInChI=1S/C12H19N3OS/c1-4-15(9-8-14(2)3)12(16)10-6-5-7-13-11(10)17/h5-7H,4,8-9H2,1-3H3,(H,13,17)
InChIKeyZGUOWCTVGQSMIC-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.77
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-N-ethyl-2-sulfanylidene-1H-pyridine-3-carboxamide

N-[2-(dimethylamino)ethyl]-N-ethyl-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 88537773) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-ethyl-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-ethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID88537773
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-[2-(dimethylamino)ethyl]-N-ethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCCN(CCN(C)C)C(=O)c1ccc[nH]c1=S
InChIInChI=1S/C12H19N3OS/c1-4-15(9-8-14(2)3)12(16)10-6-5-7-13-11(10)17/h5-7H,4,8-9H2,1-3H3,(H,13,17)
InChIKeyZGUOWCTVGQSMIC-UHFFFAOYSA-N
XLogP1.77
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.77
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

N-butyl-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 52561835
1-(2-sulfanylidene-1H-pyridin-3-yl)propan-1-one
CID 77228632
N-[(4-fluorophenyl)methyl]-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 134057227
ethane;2-sulfanylidene-1H-pyridine-3-carboxylic acid
CID 91103055
N-(2-ethoxy-2-phosphanylideneethyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 170938693
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 18167775
pentyl 2-sulfanylidene-1H-pyridine-3-carboxylate
CID 67377626
N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxy-2-methylbenzamide
CID 102978926
2-sulfanylidene-1H-pyridine-3-carbonyl iodide
CID 129273126
N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 43054352
N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 25482491
silver 2-sulfanylidene-1H-pyridine-3-carboxylate
CID 3006066

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-ethyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-ethyl-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 88537773) is N-[2-(dimethylamino)ethyl]-N-ethyl-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-ethyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-ethyl-2-sulfanylidene-1H-pyridine-3-carboxamide is CCN(CCN(C)C)C(=O)c1ccc[nH]c1=S.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-ethyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is ZGUOWCTVGQSMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-4-15(9-8-14(2)3)12(16)10-6-5-7-13-11(10)17/h5-7H,4,8-9H2,1-3H3,(H,13,17).
What are the key properties of N-[2-(dimethylamino)ethyl]-N-ethyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-N-ethyl-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-ethyl-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 88537773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).