1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanyl-2H-pyridine-3-carboxamide

C10H16N2O3S — CID 141330970

IUPAC1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESNC(=O)C1=CC=CN(CCOCCO)C1S
InChIInChI=1S/C10H16N2O3S/c11-9(14)8-2-1-3-12(10(8)16)4-6-15-7-5-13/h1-3,10,13,16H,4-7H2,(H2,11,14)
InChIKeyPDJPNVAVWVNRNF-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.51
Rot. Bonds6

About 1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanyl-2H-pyridine-3-carboxamide

1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanyl-2H-pyridine-3-carboxamide (PubChem CID 141330970) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanyl-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanyl-2H-pyridine-3-carboxamide
PubChem CID141330970
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESNC(=O)C1=CC=CN(CCOCCO)C1S
InChIInChI=1S/C10H16N2O3S/c11-9(14)8-2-1-3-12(10(8)16)4-6-15-7-5-13/h1-3,10,13,16H,4-7H2,(H2,11,14)
InChIKeyPDJPNVAVWVNRNF-UHFFFAOYSA-N
XLogP-0.51
TPSA75.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydroxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330969
N,N-bis(2-hydroxyethyl)-2-sulfanyl-1,2-dihydropyridine-3-carboxamide
CID 141330972
1-(3-ethoxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330978
1-(3-hydroxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330981
1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330983
1-(1,3-dihydroxypropan-2-yl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330993
1-[2-(2-Hydroxyethoxy)ethyl]-2-sulfanylidenepyridine-3-carboxamide
CID 146452049
3-(Aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyridin-2-one
CID 107017539
1-[2-(2-Hydroxyethoxy)ethyl]-2-oxopyridine-3-carbothioamide
CID 107017767

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanyl-2H-pyridine-3-carboxamide?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanyl-2H-pyridine-3-carboxamide (CID 141330970) is 1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanyl-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanyl-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanyl-2H-pyridine-3-carboxamide is NC(=O)C1=CC=CN(CCOCCO)C1S.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanyl-2H-pyridine-3-carboxamide?
The InChIKey is PDJPNVAVWVNRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c11-9(14)8-2-1-3-12(10(8)16)4-6-15-7-5-13/h1-3,10,13,16H,4-7H2,(H2,11,14).
What are the key properties of 1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanyl-2H-pyridine-3-carboxamide?
1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanyl-2H-pyridine-3-carboxamide has a molecular weight of 244.32 g/mol, XLogP of -0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanyl-2H-pyridine-3-carboxamide is sourced from PubChem (CID 141330970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).