2-[[5-chloro-2-(dimethylamino)phenyl]methylsulfinyl]-N-pyridin-4-ylpyridine-3-carboxamide

C20H19ClN4O2S — CID 139694429

IUPAC2-[[5-chloro-2-(dimethylamino)phenyl]methylsulfinyl]-N-pyridin-4-ylpyridine-3-carboxamide
SMILESCN(C)c1ccc(Cl)cc1CS(=O)c1ncccc1C(=O)Nc1ccncc1
InChIInChI=1S/C20H19ClN4O2S/c1-25(2)18-6-5-15(21)12-14(18)13-28(27)20-17(4-3-9-23-20)19(26)24-16-7-10-22-11-8-16/h3-12H,13H2,1-2H3,(H,22,24,26)
InChIKeySHJNCLYZAXBPHB-UHFFFAOYSA-N
MW414.92 g/mol
LogP3.76
Rot. Bonds6

About 2-[[5-chloro-2-(dimethylamino)phenyl]methylsulfinyl]-N-pyridin-4-ylpyridine-3-carboxamide

2-[[5-chloro-2-(dimethylamino)phenyl]methylsulfinyl]-N-pyridin-4-ylpyridine-3-carboxamide (PubChem CID 139694429) has the molecular formula C20H19ClN4O2S and a molecular weight of 414.92 g/mol. Its IUPAC name is 2-[[5-chloro-2-(dimethylamino)phenyl]methylsulfinyl]-N-pyridin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[5-chloro-2-(dimethylamino)phenyl]methylsulfinyl]-N-pyridin-4-ylpyridine-3-carboxamide
PubChem CID139694429
Molecular FormulaC20H19ClN4O2S
Molecular Weight414.92 g/mol
Exact Mass414.09
IUPAC Name2-[[5-chloro-2-(dimethylamino)phenyl]methylsulfinyl]-N-pyridin-4-ylpyridine-3-carboxamide
SMILESCN(C)c1ccc(Cl)cc1CS(=O)c1ncccc1C(=O)Nc1ccncc1
InChIInChI=1S/C20H19ClN4O2S/c1-25(2)18-6-5-15(21)12-14(18)13-28(27)20-17(4-3-9-23-20)19(26)24-16-7-10-22-11-8-16/h3-12H,13H2,1-2H3,(H,22,24,26)
InChIKeySHJNCLYZAXBPHB-UHFFFAOYSA-N
XLogP3.76
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.92
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(dimethylamino)-2,3,6-trifluorophenyl]methylsulfinyl]-N-pyridin-4-ylpyridine-3-carboxamide
CID 10765265
2-benzylsulfinyl-N-(4-iodophenyl)pyridine-3-carboxamide
CID 10411994
2-[[3-(dimethylamino)-2-pyridinyl]methylsulfanyl]-N-pyridin-4-ylpyridine-3-carboxamide
CID 139694481
2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(methoxymethoxymethyl)-4-pyridinyl]pyridine-3-carboxamide
CID 139795779
2-chloro-N-[3-(dimethylamino)-4-methylphenyl]pyridine-3-carboxamide
CID 115376771
N-(3-chloro-4-fluorophenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 38898502
N-(3,5-dichlorophenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 38887368
N-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62167597
2-amino-5-chloro-N-pyridin-4-ylbenzamide
CID 16770582
2-chloro-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 4063614
2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 84580348
2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(hydroxymethyl)-6-methyl-4-pyridinyl]pyridine-3-carboxamide
CID 10741822

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(dimethylamino)phenyl]methylsulfinyl]-N-pyridin-4-ylpyridine-3-carboxamide?
The IUPAC name of 2-[[5-chloro-2-(dimethylamino)phenyl]methylsulfinyl]-N-pyridin-4-ylpyridine-3-carboxamide (CID 139694429) is 2-[[5-chloro-2-(dimethylamino)phenyl]methylsulfinyl]-N-pyridin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-[[5-chloro-2-(dimethylamino)phenyl]methylsulfinyl]-N-pyridin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 2-[[5-chloro-2-(dimethylamino)phenyl]methylsulfinyl]-N-pyridin-4-ylpyridine-3-carboxamide is CN(C)c1ccc(Cl)cc1CS(=O)c1ncccc1C(=O)Nc1ccncc1.
What is the InChIKey of 2-[[5-chloro-2-(dimethylamino)phenyl]methylsulfinyl]-N-pyridin-4-ylpyridine-3-carboxamide?
The InChIKey is SHJNCLYZAXBPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2S/c1-25(2)18-6-5-15(21)12-14(18)13-28(27)20-17(4-3-9-23-20)19(26)24-16-7-10-22-11-8-16/h3-12H,13H2,1-2H3,(H,22,24,26).
What are the key properties of 2-[[5-chloro-2-(dimethylamino)phenyl]methylsulfinyl]-N-pyridin-4-ylpyridine-3-carboxamide?
2-[[5-chloro-2-(dimethylamino)phenyl]methylsulfinyl]-N-pyridin-4-ylpyridine-3-carboxamide has a molecular weight of 414.92 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(dimethylamino)phenyl]methylsulfinyl]-N-pyridin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 139694429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).