N-tert-butyl-2-phenylsulfanylpyridine-3-carboxamide

C16H18N2OS — CID 2457942

IUPACN-tert-butyl-2-phenylsulfanylpyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cccnc1Sc1ccccc1
InChIInChI=1S/C16H18N2OS/c1-16(2,3)18-14(19)13-10-7-11-17-15(13)20-12-8-5-4-6-9-12/h4-11H,1-3H3,(H,18,19)
InChIKeyLHONGHLAYLYYIK-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.76
Rot. Bonds3

About N-tert-butyl-2-phenylsulfanylpyridine-3-carboxamide

N-tert-butyl-2-phenylsulfanylpyridine-3-carboxamide (PubChem CID 2457942) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-tert-butyl-2-phenylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-phenylsulfanylpyridine-3-carboxamide
PubChem CID2457942
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-tert-butyl-2-phenylsulfanylpyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cccnc1Sc1ccccc1
InChIInChI=1S/C16H18N2OS/c1-16(2,3)18-14(19)13-10-7-11-17-15(13)20-12-8-5-4-6-9-12/h4-11H,1-3H3,(H,18,19)
InChIKeyLHONGHLAYLYYIK-UHFFFAOYSA-N
XLogP3.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-2-phenylsulfanylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-phenylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-2-phenylsulfanylpyridine-3-carboxamide (CID 2457942) is N-tert-butyl-2-phenylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-2-phenylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-2-phenylsulfanylpyridine-3-carboxamide is CC(C)(C)NC(=O)c1cccnc1Sc1ccccc1.
What is the InChIKey of N-tert-butyl-2-phenylsulfanylpyridine-3-carboxamide?
The InChIKey is LHONGHLAYLYYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-16(2,3)18-14(19)13-10-7-11-17-15(13)20-12-8-5-4-6-9-12/h4-11H,1-3H3,(H,18,19).
What are the key properties of N-tert-butyl-2-phenylsulfanylpyridine-3-carboxamide?
N-tert-butyl-2-phenylsulfanylpyridine-3-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-phenylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 2457942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).