6-(3,5-dichlorophenyl)sulfanyl-4-(dimethylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide

C24H23Cl2N3OS — CID 167110546

IUPAC6-(3,5-dichlorophenyl)sulfanyl-4-(dimethylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide
SMILESCN(C)c1cc(Sc2cc(Cl)cc(Cl)c2)ncc1C(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C24H23Cl2N3OS/c1-29(2)22-13-23(31-18-11-16(25)10-17(26)12-18)27-14-20(22)24(30)28-21-9-5-7-15-6-3-4-8-19(15)21/h3-4,6,8,10-14,21H,5,7,9H2,1-2H3,(H,28,30)/t21-/m0/s1
InChIKeyANWHMYUEWLRHSV-NRFANRHFSA-N
MW472.44 g/mol
LogP6.41
Rot. Bonds5

About 6-(3,5-dichlorophenyl)sulfanyl-4-(dimethylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide

6-(3,5-dichlorophenyl)sulfanyl-4-(dimethylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide (PubChem CID 167110546) has the molecular formula C24H23Cl2N3OS and a molecular weight of 472.44 g/mol. Its IUPAC name is 6-(3,5-dichlorophenyl)sulfanyl-4-(dimethylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3,5-dichlorophenyl)sulfanyl-4-(dimethylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide
PubChem CID167110546
Molecular FormulaC24H23Cl2N3OS
Molecular Weight472.44 g/mol
Exact Mass471.09
IUPAC Name6-(3,5-dichlorophenyl)sulfanyl-4-(dimethylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide
SMILESCN(C)c1cc(Sc2cc(Cl)cc(Cl)c2)ncc1C(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C24H23Cl2N3OS/c1-29(2)22-13-23(31-18-11-16(25)10-17(26)12-18)27-14-20(22)24(30)28-21-9-5-7-15-6-3-4-8-19(15)21/h3-4,6,8,10-14,21H,5,7,9H2,1-2H3,(H,28,30)/t21-/m0/s1
InChIKeyANWHMYUEWLRHSV-NRFANRHFSA-N
XLogP6.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.44
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,5-dichlorophenyl)sulfonyl-4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 174205284
2,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2124760
3,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7428902
2-(dimethylamino)-5-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7550783
5-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2654690
2,5-difluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 27184099
6-chloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-chromene-3-carboxamide
CID 6930468
4-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 9216819
4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4681400
2-chloro-4-[methyl(methylsulfonyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 125042681
2-(3-aminopropoxy)-4-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 125171601
2-chloro-4-[methyl(methylsulfonyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 133145463

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichlorophenyl)sulfanyl-4-(dimethylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(3,5-dichlorophenyl)sulfanyl-4-(dimethylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide (CID 167110546) is 6-(3,5-dichlorophenyl)sulfanyl-4-(dimethylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3,5-dichlorophenyl)sulfanyl-4-(dimethylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3,5-dichlorophenyl)sulfanyl-4-(dimethylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide is CN(C)c1cc(Sc2cc(Cl)cc(Cl)c2)ncc1C(=O)N[C@H]1CCCc2ccccc21.
What is the InChIKey of 6-(3,5-dichlorophenyl)sulfanyl-4-(dimethylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide?
The InChIKey is ANWHMYUEWLRHSV-NRFANRHFSA-N. The full InChI is InChI=1S/C24H23Cl2N3OS/c1-29(2)22-13-23(31-18-11-16(25)10-17(26)12-18)27-14-20(22)24(30)28-21-9-5-7-15-6-3-4-8-19(15)21/h3-4,6,8,10-14,21H,5,7,9H2,1-2H3,(H,28,30)/t21-/m0/s1.
What are the key properties of 6-(3,5-dichlorophenyl)sulfanyl-4-(dimethylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide?
6-(3,5-dichlorophenyl)sulfanyl-4-(dimethylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide has a molecular weight of 472.44 g/mol, XLogP of 6.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dichlorophenyl)sulfanyl-4-(dimethylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 167110546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).