2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(methoxymethoxymethyl)-4-pyridinyl]pyridine-3-carboxamide

C23H25N3O6S — CID 139795779

IUPAC2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(methoxymethoxymethyl)-4-pyridinyl]pyridine-3-carboxamide
SMILESCOCOCc1cc(NC(=O)c2cccnc2S(=O)Cc2ccc(OC)cc2OC)ccn1
InChIInChI=1S/C23H25N3O6S/c1-29-15-32-13-18-11-17(8-10-24-18)26-22(27)20-5-4-9-25-23(20)33(28)14-16-6-7-19(30-2)12-21(16)31-3/h4-12H,13-15H2,1-3H3,(H,24,26,27)
InChIKeyVXENYHGRKYMJQU-UHFFFAOYSA-N
MW471.54 g/mol
LogP3.17
Rot. Bonds11

About 2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(methoxymethoxymethyl)-4-pyridinyl]pyridine-3-carboxamide

2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(methoxymethoxymethyl)-4-pyridinyl]pyridine-3-carboxamide (PubChem CID 139795779) has the molecular formula C23H25N3O6S and a molecular weight of 471.54 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(methoxymethoxymethyl)-4-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(methoxymethoxymethyl)-4-pyridinyl]pyridine-3-carboxamide
PubChem CID139795779
Molecular FormulaC23H25N3O6S
Molecular Weight471.54 g/mol
Exact Mass471.15
IUPAC Name2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(methoxymethoxymethyl)-4-pyridinyl]pyridine-3-carboxamide
SMILESCOCOCc1cc(NC(=O)c2cccnc2S(=O)Cc2ccc(OC)cc2OC)ccn1
InChIInChI=1S/C23H25N3O6S/c1-29-15-32-13-18-11-17(8-10-24-18)26-22(27)20-5-4-9-25-23(20)33(28)14-16-6-7-19(30-2)12-21(16)31-3/h4-12H,13-15H2,1-3H3,(H,24,26,27)
InChIKeyVXENYHGRKYMJQU-UHFFFAOYSA-N
XLogP3.17
TPSA108.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(hydroxymethyl)-6-methyl-4-pyridinyl]pyridine-3-carboxamide
CID 10741822
[4-[[2-[[2-(3-hydroxypropyl)-4-methoxyphenyl]methylsulfinyl]pyridine-3-carbonyl]amino]-2-pyridinyl]methyl propanoate
CID 139694459
2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-4-pyridinyl]pyridine-3-carboxamide
CID 10836089
N-(2,4-dimethoxyphenyl)-2-ethoxypyridine-3-carboxamide
CID 2110255
2-[[5-chloro-2-(dimethylamino)phenyl]methylsulfinyl]-N-pyridin-4-ylpyridine-3-carboxamide
CID 139694429
2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(4-oxopiperidin-1-yl)-4-pyridinyl]pyridine-3-carboxamide
CID 139795793
2-[(2,4-dimethoxyphenyl)methylsulfinyl]-6-(dimethylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 139795755
2,5-dimethoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 110761099
2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide
CID 133319491
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-3,5-dimethoxypyridine-2-carboxamide
CID 70234636
N-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737
2-(2,4-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37485782

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(methoxymethoxymethyl)-4-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(methoxymethoxymethyl)-4-pyridinyl]pyridine-3-carboxamide (CID 139795779) is 2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(methoxymethoxymethyl)-4-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(methoxymethoxymethyl)-4-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(methoxymethoxymethyl)-4-pyridinyl]pyridine-3-carboxamide is COCOCc1cc(NC(=O)c2cccnc2S(=O)Cc2ccc(OC)cc2OC)ccn1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(methoxymethoxymethyl)-4-pyridinyl]pyridine-3-carboxamide?
The InChIKey is VXENYHGRKYMJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6S/c1-29-15-32-13-18-11-17(8-10-24-18)26-22(27)20-5-4-9-25-23(20)33(28)14-16-6-7-19(30-2)12-21(16)31-3/h4-12H,13-15H2,1-3H3,(H,24,26,27).
What are the key properties of 2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(methoxymethoxymethyl)-4-pyridinyl]pyridine-3-carboxamide?
2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(methoxymethoxymethyl)-4-pyridinyl]pyridine-3-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 3.17, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(methoxymethoxymethyl)-4-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 139795779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).