2-(2-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide

C19H22ClN3O2S — CID 8009401

IUPAC2-(2-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cccnc1Sc1ccccc1Cl
InChIInChI=1S/C19H22ClN3O2S/c20-16-6-1-2-7-17(16)26-19-15(5-3-8-22-19)18(24)21-9-4-10-23-11-13-25-14-12-23/h1-3,5-8H,4,9-14H2,(H,21,24)
InChIKeySGPKKIJKLCHHLA-UHFFFAOYSA-N
MW391.92 g/mol
LogP3.34
Rot. Bonds7

About 2-(2-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide

2-(2-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide (PubChem CID 8009401) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
PubChem CID8009401
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cccnc1Sc1ccccc1Cl
InChIInChI=1S/C19H22ClN3O2S/c20-16-6-1-2-7-17(16)26-19-15(5-3-8-22-19)18(24)21-9-4-10-23-11-13-25-14-12-23/h1-3,5-8H,4,9-14H2,(H,21,24)
InChIKeySGPKKIJKLCHHLA-UHFFFAOYSA-N
XLogP3.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylbutyl)pyridine-3-carboxamide
CID 55848827
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
3-chloro-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 71690241
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809
1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162858
2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 60668245
N-(3-morpholin-4-ylpropyl)-1,6-naphthyridine-8-carboxamide
CID 91949073
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791
5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 51155963
4-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
CID 81226039
N-(3-morpholin-4-ylpropyl)-9-oxofluorene-4-carboxamide
CID 2818270
2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 103753970

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide (CID 8009401) is 2-(2-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide is O=C(NCCCN1CCOCC1)c1cccnc1Sc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
The InChIKey is SGPKKIJKLCHHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c20-16-6-1-2-7-17(16)26-19-15(5-3-8-22-19)18(24)21-9-4-10-23-11-13-25-14-12-23/h1-3,5-8H,4,9-14H2,(H,21,24).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
2-(2-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide has a molecular weight of 391.92 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 8009401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).