2-(2,5-dimethylphenyl)sulfanyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide

C26H28N4O3S — CID 32626227

IUPAC2-(2,5-dimethylphenyl)sulfanyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide
SMILESCc1ccc(C)c(Sc2ncccc2C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c1
InChIInChI=1S/C26H28N4O3S/c1-18-5-6-19(2)23(16-18)34-26-22(4-3-11-27-26)25(32)29-21-9-7-20(8-10-21)28-24(31)17-30-12-14-33-15-13-30/h3-11,16H,12-15,17H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyKAENXXZAGKLXOC-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.37
Rot. Bonds7

About 2-(2,5-dimethylphenyl)sulfanyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide

2-(2,5-dimethylphenyl)sulfanyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide (PubChem CID 32626227) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide
PubChem CID32626227
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide
SMILESCc1ccc(C)c(Sc2ncccc2C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c1
InChIInChI=1S/C26H28N4O3S/c1-18-5-6-19(2)23(16-18)34-26-22(4-3-11-27-26)25(32)29-21-9-7-20(8-10-21)28-24(31)17-30-12-14-33-15-13-30/h3-11,16H,12-15,17H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyKAENXXZAGKLXOC-UHFFFAOYSA-N
XLogP4.37
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 24628498
2-(2,4-dimethylphenyl)sulfanyl-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide
CID 32625665
2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylbutyl)pyridine-3-carboxamide
CID 55848827
2-(2,4-dimethylphenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 29325010
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
N-[4-[(3-methyl-2-pyridinyl)methylamino]phenyl]-2-morpholin-4-ylacetamide
CID 86786863
ethyl 4-[[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 24654691
2-(2,4-dimethylphenyl)sulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 55484319
2-(2,5-dimethylphenyl)sulfanyl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
CID 8892613
N-(2-benzamidoethyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 38196668
2-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]pyridine-3-carboxamide
CID 155647773
2-(2,5-dimethylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 24628486

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide (CID 32626227) is 2-(2,5-dimethylphenyl)sulfanyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide is Cc1ccc(C)c(Sc2ncccc2C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide?
The InChIKey is KAENXXZAGKLXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c1-18-5-6-19(2)23(16-18)34-26-22(4-3-11-27-26)25(32)29-21-9-7-20(8-10-21)28-24(31)17-30-12-14-33-15-13-30/h3-11,16H,12-15,17H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide?
2-(2,5-dimethylphenyl)sulfanyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide has a molecular weight of 476.60 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 32626227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).