N-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide

C25H28N4O2S — CID 139694449

IUPACN-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide
SMILESCN(C)c1ccccc1CS(=O)c1cc(N2CCCC2)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C25H28N4O2S/c1-28(2)23-10-4-3-8-20(23)18-32(31)24-16-21(29-14-5-6-15-29)11-12-22(24)27-25(30)19-9-7-13-26-17-19/h3-4,7-13,16-17H,5-6,14-15,18H2,1-2H3,(H,27,30)
InChIKeySYAITDFYZRZZST-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.31
Rot. Bonds7

About N-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide

N-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide (PubChem CID 139694449) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide
PubChem CID139694449
Molecular FormulaC25H28N4O2S
Molecular Weight448.59 g/mol
Exact Mass448.19
IUPAC NameN-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide
SMILESCN(C)c1ccccc1CS(=O)c1cc(N2CCCC2)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C25H28N4O2S/c1-28(2)23-10-4-3-8-20(23)18-32(31)24-16-21(29-14-5-6-15-29)11-12-22(24)27-25(30)19-9-7-13-26-17-19/h3-4,7-13,16-17H,5-6,14-15,18H2,1-2H3,(H,27,30)
InChIKeySYAITDFYZRZZST-UHFFFAOYSA-N
XLogP4.31
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluoro-5-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 110361821
N-(2-fluoro-5-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 110362254
N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[1-(4-methoxyphenyl)ethylsulfinyl]phenyl]pyridine-3-carboxamide
CID 139694470
N-(2,4-dimorpholin-4-ylphenyl)pyridine-3-carboxamide
CID 24676967
N-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide
CID 38282179
3-(dimethylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157817
N-[2-benzhydrylsulfanyl-4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 139694454
N-[5-amino-2-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 91675954
N-[2-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 47234684
N-[4-(dimethylamino)-3-pyridinyl]benzamide
CID 63319086
4-methyl-2-[[2-[2-(pyridine-3-carbonylamino)phenyl]acetyl]amino]pentanoic acid
CID 23936302
N-[2-(4-methylpiperidin-1-yl)phenyl]pyridine-3-carboxamide
CID 4538085

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide (CID 139694449) is N-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide is CN(C)c1ccccc1CS(=O)c1cc(N2CCCC2)ccc1NC(=O)c1cccnc1.
What is the InChIKey of N-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide?
The InChIKey is SYAITDFYZRZZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S/c1-28(2)23-10-4-3-8-20(23)18-32(31)24-16-21(29-14-5-6-15-29)11-12-22(24)27-25(30)19-9-7-13-26-17-19/h3-4,7-13,16-17H,5-6,14-15,18H2,1-2H3,(H,27,30).
What are the key properties of N-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide?
N-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(dimethylamino)phenyl]methylsulfinyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 139694449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).