2-pentylsulfanyl-N-phenylpyridine-3-carboxamide

C17H20N2OS — CID 15015989

IUPAC2-pentylsulfanyl-N-phenylpyridine-3-carboxamide
SMILESCCCCCSc1ncccc1C(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2OS/c1-2-3-7-13-21-17-15(11-8-12-18-17)16(20)19-14-9-5-4-6-10-14/h4-6,8-12H,2-3,7,13H2,1H3,(H,19,20)
InChIKeySRYUTKGFOOEEND-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.62
Rot. Bonds7

About 2-pentylsulfanyl-N-phenylpyridine-3-carboxamide

2-pentylsulfanyl-N-phenylpyridine-3-carboxamide (PubChem CID 15015989) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-pentylsulfanyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-pentylsulfanyl-N-phenylpyridine-3-carboxamide
PubChem CID15015989
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-pentylsulfanyl-N-phenylpyridine-3-carboxamide
SMILESCCCCCSc1ncccc1C(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2OS/c1-2-3-7-13-21-17-15(11-8-12-18-17)16(20)19-14-9-5-4-6-10-14/h4-6,8-12H,2-3,7,13H2,1H3,(H,19,20)
InChIKeySRYUTKGFOOEEND-UHFFFAOYSA-N
XLogP4.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-pentylsulfanylpyridine-3-carbonyl)amino]-1,1-diphenylurea
CID 4984328
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 38477184
N-[4-(diethylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 2558813
N-hexyl-2-phenylsulfanylpyridine-3-carboxamide
CID 32647200
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-pentylsulfanylpyridine-3-carbonyl)amino]thiourea
CID 3691406
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 46552851
2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 2111300
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propylsulfanylpyridine-3-carboxamide
CID 44760748
2-benzylsulfanyl-N-(4-nitrophenyl)pyridine-3-carboxamide
CID 10406534
1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide
CID 13492483
2-butyl-N-phenylbenzamide
CID 3695058
N-(3-ethylphenyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide
CID 18288969

Frequently Asked Questions

What is the IUPAC name of 2-pentylsulfanyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of 2-pentylsulfanyl-N-phenylpyridine-3-carboxamide (CID 15015989) is 2-pentylsulfanyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 2-pentylsulfanyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 2-pentylsulfanyl-N-phenylpyridine-3-carboxamide is CCCCCSc1ncccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-pentylsulfanyl-N-phenylpyridine-3-carboxamide?
The InChIKey is SRYUTKGFOOEEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-2-3-7-13-21-17-15(11-8-12-18-17)16(20)19-14-9-5-4-6-10-14/h4-6,8-12H,2-3,7,13H2,1H3,(H,19,20).
What are the key properties of 2-pentylsulfanyl-N-phenylpyridine-3-carboxamide?
2-pentylsulfanyl-N-phenylpyridine-3-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylsulfanyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 15015989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).