N-ethyl-1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide

C10H16N2O2S — CID 141330995

IUPACN-ethyl-1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESCCNC(=O)C1=CC=CN(CCO)C1S
InChIInChI=1S/C10H16N2O2S/c1-2-11-9(14)8-4-3-5-12(6-7-13)10(8)15/h3-5,10,13,15H,2,6-7H2,1H3,(H,11,14)
InChIKeyBUTONJKBQIGNOZ-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.13
Rot. Bonds4

About N-ethyl-1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide

N-ethyl-1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide (PubChem CID 141330995) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-ethyl-1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide
PubChem CID141330995
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-ethyl-1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESCCNC(=O)C1=CC=CN(CCO)C1S
InChIInChI=1S/C10H16N2O2S/c1-2-11-9(14)8-4-3-5-12(6-7-13)10(8)15/h3-5,10,13,15H,2,6-7H2,1H3,(H,11,14)
InChIKeyBUTONJKBQIGNOZ-UHFFFAOYSA-N
XLogP0.13
TPSA52.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-2-methyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-(2-sulfanylethyl)propanamide
CID 177679875
2-hydroxy-2-methyl-3-(4-methyl-2-oxo-1-pyridinyl)-N-(2-sulfanylethyl)propanamide
CID 177680269
N-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-3-sulfanylpropanamide
CID 177680873
1-chloro-N-(2-hydroxyethyl)-2H-pyridine-3-carboxamide
CID 23054844
N-ethyl-N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 78856548
N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 88537340
N,N-bis(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 88537359
N-(2-hydroxyethyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 129272774
N,N-bis(2-hydroxyethyl)-2-sulfanyl-1,2-dihydropyridine-3-carboxamide
CID 141330972
N-[2-(dimethylamino)ethyl]-1-ethyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330976
1-(3-hydroxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330981
1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330983

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide?
The IUPAC name of N-ethyl-1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide (CID 141330995) is N-ethyl-1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide is CCNC(=O)C1=CC=CN(CCO)C1S.
What is the InChIKey of N-ethyl-1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide?
The InChIKey is BUTONJKBQIGNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-2-11-9(14)8-4-3-5-12(6-7-13)10(8)15/h3-5,10,13,15H,2,6-7H2,1H3,(H,11,14).
What are the key properties of N-ethyl-1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide?
N-ethyl-1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide has a molecular weight of 228.32 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide is sourced from PubChem (CID 141330995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).