2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-propan-2-yl-N-pyridin-4-ylpyridine-3-carboxamide

C23H25N3O3S — CID 10574297

IUPAC2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-propan-2-yl-N-pyridin-4-ylpyridine-3-carboxamide
SMILESCOc1ccc(CSc2nc(C(C)C)ccc2C(=O)Nc2ccncc2)c(OC)c1
InChIInChI=1S/C23H25N3O3S/c1-15(2)20-8-7-19(22(27)25-17-9-11-24-12-10-17)23(26-20)30-14-16-5-6-18(28-3)13-21(16)29-4/h5-13,15H,14H2,1-4H3,(H,24,25,27)
InChIKeyTVXQHIQTAMGCGV-UHFFFAOYSA-N
MW423.54 g/mol
LogP5.16
Rot. Bonds8

About 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-propan-2-yl-N-pyridin-4-ylpyridine-3-carboxamide

2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-propan-2-yl-N-pyridin-4-ylpyridine-3-carboxamide (PubChem CID 10574297) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-propan-2-yl-N-pyridin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-propan-2-yl-N-pyridin-4-ylpyridine-3-carboxamide
PubChem CID10574297
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-propan-2-yl-N-pyridin-4-ylpyridine-3-carboxamide
SMILESCOc1ccc(CSc2nc(C(C)C)ccc2C(=O)Nc2ccncc2)c(OC)c1
InChIInChI=1S/C23H25N3O3S/c1-15(2)20-8-7-19(22(27)25-17-9-11-24-12-10-17)23(26-20)30-14-16-5-6-18(28-3)13-21(16)29-4/h5-13,15H,14H2,1-4H3,(H,24,25,27)
InChIKeyTVXQHIQTAMGCGV-UHFFFAOYSA-N
XLogP5.16
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.54
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-propan-2-yl-N-pyridin-4-ylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-4-pyridinyl]pyridine-3-carboxamide
CID 10836089
2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-(dimethylamino)-N-[2-(4-hydroxypiperidin-1-yl)-4-pyridinyl]pyridine-3-carboxamide
CID 10506230
2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(4-oxopiperidin-1-yl)-4-pyridinyl]pyridine-3-carboxamide
CID 139795793
4-[1-amino-2-[[2-(2,4-dimethoxyphenyl)acetyl]-methylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 15983405
N-[4-[(1R)-1-hydroxyethyl]phenyl]-2,4-dimethoxybenzamide
CID 100803459
2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-5-methyl-4-pyridinyl]pyridine-3-carboxamide
CID 10717873
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
ethane;4-ethyl-2-methoxy-N-pyridin-4-ylbenzamide
CID 167447261
N-(4-ethoxyphenyl)-2,4-dimethoxybenzamide
CID 669318
2-(4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 4228325
6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide
CID 3786468
2-(2,5-dimethoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 1225611

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-propan-2-yl-N-pyridin-4-ylpyridine-3-carboxamide?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-propan-2-yl-N-pyridin-4-ylpyridine-3-carboxamide (CID 10574297) is 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-propan-2-yl-N-pyridin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-propan-2-yl-N-pyridin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-propan-2-yl-N-pyridin-4-ylpyridine-3-carboxamide is COc1ccc(CSc2nc(C(C)C)ccc2C(=O)Nc2ccncc2)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-propan-2-yl-N-pyridin-4-ylpyridine-3-carboxamide?
The InChIKey is TVXQHIQTAMGCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-15(2)20-8-7-19(22(27)25-17-9-11-24-12-10-17)23(26-20)30-14-16-5-6-18(28-3)13-21(16)29-4/h5-13,15H,14H2,1-4H3,(H,24,25,27).
What are the key properties of 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-propan-2-yl-N-pyridin-4-ylpyridine-3-carboxamide?
2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-propan-2-yl-N-pyridin-4-ylpyridine-3-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-propan-2-yl-N-pyridin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 10574297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).