N-[4-(diethylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide

C22H23N3OS — CID 2558813

IUPACN-[4-(diethylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cccnc2Sc2ccccc2)cc1
InChIInChI=1S/C22H23N3OS/c1-3-25(4-2)18-14-12-17(13-15-18)24-21(26)20-11-8-16-23-22(20)27-19-9-6-5-7-10-19/h5-16H,3-4H2,1-2H3,(H,24,26)
InChIKeyVJDSUDCNRQWTPD-UHFFFAOYSA-N
MW377.51 g/mol
LogP5.33
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide

N-[4-(diethylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide (PubChem CID 2558813) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide
PubChem CID2558813
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC NameN-[4-(diethylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cccnc2Sc2ccccc2)cc1
InChIInChI=1S/C22H23N3OS/c1-3-25(4-2)18-14-12-17(13-15-18)24-21(26)20-11-8-16-23-22(20)27-19-9-6-5-7-10-19/h5-16H,3-4H2,1-2H3,(H,24,26)
InChIKeyVJDSUDCNRQWTPD-UHFFFAOYSA-N
XLogP5.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-phenylsulfanyl-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
CID 17422807
2-[[4-(diethylamino)phenyl]carbamoyl]benzoic acid
CID 730395
2-phenylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 55532652
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
N-(2-fluorophenyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 26115014
N-[4-(diethylamino)phenyl]-2-fluorobenzamide
CID 842943
N-hexyl-2-phenylsulfanylpyridine-3-carboxamide
CID 32647200
N-(1-hydroxypropan-2-yl)-2-phenylsulfanylpyridine-3-carboxamide
CID 78856709
N-[3-(cyclopropanecarbonylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 38326707
3-bromo-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 107518027

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide (CID 2558813) is N-[4-(diethylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide is CCN(CC)c1ccc(NC(=O)c2cccnc2Sc2ccccc2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide?
The InChIKey is VJDSUDCNRQWTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-3-25(4-2)18-14-12-17(13-15-18)24-21(26)20-11-8-16-23-22(20)27-19-9-6-5-7-10-19/h5-16H,3-4H2,1-2H3,(H,24,26).
What are the key properties of N-[4-(diethylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide?
N-[4-(diethylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 2558813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).