N-benzyl-2-phenylsulfanylpyridine-3-carboxamide

C19H16N2OS — CID 4797191

IUPACN-benzyl-2-phenylsulfanylpyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C19H16N2OS/c22-18(21-14-15-8-3-1-4-9-15)17-12-7-13-20-19(17)23-16-10-5-2-6-11-16/h1-13H,14H2,(H,21,22)
InChIKeyLPBIDTQPWRZZIR-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.16
Rot. Bonds5

About N-benzyl-2-phenylsulfanylpyridine-3-carboxamide

N-benzyl-2-phenylsulfanylpyridine-3-carboxamide (PubChem CID 4797191) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is N-benzyl-2-phenylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-phenylsulfanylpyridine-3-carboxamide
PubChem CID4797191
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC NameN-benzyl-2-phenylsulfanylpyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C19H16N2OS/c22-18(21-14-15-8-3-1-4-9-15)17-12-7-13-20-19(17)23-16-10-5-2-6-11-16/h1-13H,14H2,(H,21,22)
InChIKeyLPBIDTQPWRZZIR-UHFFFAOYSA-N
XLogP4.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-phenylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-2-phenylsulfanylpyridine-3-carboxamide (CID 4797191) is N-benzyl-2-phenylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-2-phenylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-2-phenylsulfanylpyridine-3-carboxamide is O=C(NCc1ccccc1)c1cccnc1Sc1ccccc1.
What is the InChIKey of N-benzyl-2-phenylsulfanylpyridine-3-carboxamide?
The InChIKey is LPBIDTQPWRZZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS/c22-18(21-14-15-8-3-1-4-9-15)17-12-7-13-20-19(17)23-16-10-5-2-6-11-16/h1-13H,14H2,(H,21,22).
What are the key properties of N-benzyl-2-phenylsulfanylpyridine-3-carboxamide?
N-benzyl-2-phenylsulfanylpyridine-3-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-phenylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 4797191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).