2-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]pyridine-3-carboxamide

C18H19N3O3S — CID 155647773

IUPAC2-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H19N3O3S/c1-25-17-15(3-2-8-19-17)16(22)20-14-6-4-13(5-7-14)18(23)21-9-11-24-12-10-21/h2-8H,9-12H2,1H3,(H,20,22)
InChIKeyJTNYDCMIMTUMBW-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.53
Rot. Bonds4

About 2-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]pyridine-3-carboxamide

2-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]pyridine-3-carboxamide (PubChem CID 155647773) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]pyridine-3-carboxamide
PubChem CID155647773
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H19N3O3S/c1-25-17-15(3-2-8-19-17)16(22)20-14-6-4-13(5-7-14)18(23)21-9-11-24-12-10-21/h2-8H,9-12H2,1H3,(H,20,22)
InChIKeyJTNYDCMIMTUMBW-UHFFFAOYSA-N
XLogP2.53
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 142611651
4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 78892234
2-phenylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 55532652
N-[4-chloro-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 155382799
N-[4-chloro-3-(piperidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 155382960
N-[4-(morpholine-4-carbonyl)phenyl]-2,3-di(propan-2-yl)benzamide
CID 175025885
N-[4-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-3-carboxamide
CID 2971227
N-[4-(morpholine-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1169203
2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 2111300
2-(2,5-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 24628498
2-hydroxy-4-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid
CID 43171833
1-[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea
CID 70975031

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]pyridine-3-carboxamide (CID 155647773) is 2-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]pyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]pyridine-3-carboxamide?
The InChIKey is JTNYDCMIMTUMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-25-17-15(3-2-8-19-17)16(22)20-14-6-4-13(5-7-14)18(23)21-9-11-24-12-10-21/h2-8H,9-12H2,1H3,(H,20,22).
What are the key properties of 2-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]pyridine-3-carboxamide?
2-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]pyridine-3-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 155647773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).