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

C24H23N3O2S — CID 18153772

IUPAC2-phenylsulfanyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C24H23N3O2S/c28-22(21-9-6-14-25-23(21)30-20-7-2-1-3-8-20)26-17-18-10-12-19(13-11-18)24(29)27-15-4-5-16-27/h1-3,6-14H,4-5,15-17H2,(H,26,28)
InChIKeyQDYYIKMYZUQQEX-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.40
Rot. Bonds6

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

2-phenylsulfanyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 18153772) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID18153772
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC Name2-phenylsulfanyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C24H23N3O2S/c28-22(21-9-6-14-25-23(21)30-20-7-2-1-3-8-20)26-17-18-10-12-19(13-11-18)24(29)27-15-4-5-16-27/h1-3,6-14H,4-5,15-17H2,(H,26,28)
InChIKeyQDYYIKMYZUQQEX-UHFFFAOYSA-N
XLogP4.40
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 55532652
(2-phenylsulfanyl-3-pyridinyl)-pyrrolidin-1-ylmethanone
CID 78774467
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]quinoline-8-carboxamide
CID 26977124
N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 55662586
2-phenylsulfanyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 30377466
2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 46655948
N-[(3-fluoro-4-methylphenyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 18153619
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 32587833
N-benzyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080517
2-phenylsulfanyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 46400204
2-[(4-fluorophenyl)methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 24551331
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
CID 47029137

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-phenylsulfanyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide (CID 18153772) is 2-phenylsulfanyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-phenylsulfanyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-phenylsulfanyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1cccnc1Sc1ccccc1.
What is the InChIKey of 2-phenylsulfanyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is QDYYIKMYZUQQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c28-22(21-9-6-14-25-23(21)30-20-7-2-1-3-8-20)26-17-18-10-12-19(13-11-18)24(29)27-15-4-5-16-27/h1-3,6-14H,4-5,15-17H2,(H,26,28).
What are the key properties of 2-phenylsulfanyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide?
2-phenylsulfanyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 4.40, 6 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]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 18153772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).