2-phenylsulfanyl-N-quinolin-5-ylpyridine-3-carboxamide

C21H15N3OS — CID 55342888

IUPAC2-phenylsulfanyl-N-quinolin-5-ylpyridine-3-carboxamide
SMILESO=C(Nc1cccc2ncccc12)c1cccnc1Sc1ccccc1
InChIInChI=1S/C21H15N3OS/c25-20(24-19-12-4-11-18-16(19)9-5-13-22-18)17-10-6-14-23-21(17)26-15-7-2-1-3-8-15/h1-14H,(H,24,25)
InChIKeyKICZURTUZQSFNJ-UHFFFAOYSA-N
MW357.44 g/mol
LogP5.03
Rot. Bonds4

About 2-phenylsulfanyl-N-quinolin-5-ylpyridine-3-carboxamide

2-phenylsulfanyl-N-quinolin-5-ylpyridine-3-carboxamide (PubChem CID 55342888) has the molecular formula C21H15N3OS and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-quinolin-5-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-quinolin-5-ylpyridine-3-carboxamide
PubChem CID55342888
Molecular FormulaC21H15N3OS
Molecular Weight357.44 g/mol
Exact Mass357.09
IUPAC Name2-phenylsulfanyl-N-quinolin-5-ylpyridine-3-carboxamide
SMILESO=C(Nc1cccc2ncccc12)c1cccnc1Sc1ccccc1
InChIInChI=1S/C21H15N3OS/c25-20(24-19-12-4-11-18-16(19)9-5-13-22-18)17-10-6-14-23-21(17)26-15-7-2-1-3-8-15/h1-14H,(H,24,25)
InChIKeyKICZURTUZQSFNJ-UHFFFAOYSA-N
XLogP5.03
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.44
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 26115014
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
N-quinolin-5-yl-2-(trifluoromethyl)benzamide
CID 26242319
CID 73213052
CID 73213052
N-(3-chlorophenyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 26086401
2-phenylsulfanyl-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide
CID 39677967
N-(5-methyl-2-pyridinyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 43019366
2-methyl-6-phenyl-N-quinolin-5-ylpyridine-3-carboxamide
CID 34130475
2-chloro-N-quinolin-5-ylfuran-3-carboxamide
CID 106685203
2,3,4-trifluoro-N-quinolin-5-ylbenzamide
CID 110868233
N-[2-(benzenesulfonyl)phenyl]quinoline-5-carboxamide
CID 142723873
N-[3-(cyclopropanecarbonylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 38326707

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-quinolin-5-ylpyridine-3-carboxamide?
The IUPAC name of 2-phenylsulfanyl-N-quinolin-5-ylpyridine-3-carboxamide (CID 55342888) is 2-phenylsulfanyl-N-quinolin-5-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-phenylsulfanyl-N-quinolin-5-ylpyridine-3-carboxamide?
The canonical SMILES for 2-phenylsulfanyl-N-quinolin-5-ylpyridine-3-carboxamide is O=C(Nc1cccc2ncccc12)c1cccnc1Sc1ccccc1.
What is the InChIKey of 2-phenylsulfanyl-N-quinolin-5-ylpyridine-3-carboxamide?
The InChIKey is KICZURTUZQSFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3OS/c25-20(24-19-12-4-11-18-16(19)9-5-13-22-18)17-10-6-14-23-21(17)26-15-7-2-1-3-8-15/h1-14H,(H,24,25).
What are the key properties of 2-phenylsulfanyl-N-quinolin-5-ylpyridine-3-carboxamide?
2-phenylsulfanyl-N-quinolin-5-ylpyridine-3-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-quinolin-5-ylpyridine-3-carboxamide is sourced from PubChem (CID 55342888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).