2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide

C24H28N4O3S — CID 35437944

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1noc(C)c1CSc1ncccc1C(=O)N(C)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C24H28N4O3S/c1-17-21(18(2)31-26-17)16-32-23-20(8-6-10-25-23)24(29)27(3)15-19-7-4-5-9-22(19)28-11-13-30-14-12-28/h4-10H,11-16H2,1-3H3
InChIKeyYUCOMCGIJQXMRM-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.09
Rot. Bonds7

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 35437944) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
PubChem CID35437944
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1noc(C)c1CSc1ncccc1C(=O)N(C)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C24H28N4O3S/c1-17-21(18(2)31-26-17)16-32-23-20(8-6-10-25-23)24(29)27(3)15-19-7-4-5-9-22(19)28-11-13-30-14-12-28/h4-10H,11-16H2,1-3H3
InChIKeyYUCOMCGIJQXMRM-UHFFFAOYSA-N
XLogP4.09
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2-bromophenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylpyridine-3-carboxamide
CID 35131480
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 47039288
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
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CID 30888032
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 51191560
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate
CID 31751013
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(piperidin-1-ylmethyl)benzamide
CID 46977871
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide
CID 8011618
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide
CID 29362543
N,4-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 24516551
N-methyl-4-(methylsulfanylmethyl)-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 31645758
[(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate
CID 9306869

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide (CID 35437944) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide is Cc1noc(C)c1CSc1ncccc1C(=O)N(C)Cc1ccccc1N1CCOCC1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is YUCOMCGIJQXMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-17-21(18(2)31-26-17)16-32-23-20(8-6-10-25-23)24(29)27(3)15-19-7-4-5-9-22(19)28-11-13-30-14-12-28/h4-10H,11-16H2,1-3H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 35437944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).