2-phenylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide

C23H21N3O2S — CID 55532652

IUPAC2-phenylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C23H21N3O2S/c27-21(20-9-6-14-24-22(20)29-19-7-2-1-3-8-19)25-18-12-10-17(11-13-18)23(28)26-15-4-5-16-26/h1-3,6-14H,4-5,15-16H2,(H,25,27)
InChIKeyAZGLYCBLDWRXLX-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.72
Rot. Bonds5

About 2-phenylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide

2-phenylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide (PubChem CID 55532652) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide
PubChem CID55532652
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name2-phenylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C23H21N3O2S/c27-21(20-9-6-14-24-22(20)29-19-7-2-1-3-8-19)25-18-12-10-17(11-13-18)23(28)26-15-4-5-16-26/h1-3,6-14H,4-5,15-16H2,(H,25,27)
InChIKeyAZGLYCBLDWRXLX-UHFFFAOYSA-N
XLogP4.72
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylsulfanyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide
CID 18153772
(2-phenylsulfanyl-3-pyridinyl)-pyrrolidin-1-ylmethanone
CID 78774467
2-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]pyridine-3-carboxamide
CID 155647773
2-phenylsulfanyl-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
CID 17422807
2-phenylsulfanyl-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide
CID 39677967
N-[4-(diethylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 2558813
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285
2-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 17123959
N-[3-(cyclopropanecarbonylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 38326707
N-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-1-carboxamide
CID 2986145
N-[4-chloro-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 155382799

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-phenylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide (CID 55532652) is 2-phenylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-phenylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-phenylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cccnc1Sc1ccccc1.
What is the InChIKey of 2-phenylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The InChIKey is AZGLYCBLDWRXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c27-21(20-9-6-14-24-22(20)29-19-7-2-1-3-8-19)25-18-12-10-17(11-13-18)23(28)26-15-4-5-16-26/h1-3,6-14H,4-5,15-16H2,(H,25,27).
What are the key properties of 2-phenylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide?
2-phenylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55532652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).