N-(4-tert-butylphenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide

C16H18N2OS — CID 23151044

IUPACN-(4-tert-butylphenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc[nH]c2=S)cc1
InChIInChI=1S/C16H18N2OS/c1-16(2,3)11-6-8-12(9-7-11)18-14(19)13-5-4-10-17-15(13)20/h4-10H,1-3H3,(H,17,20)(H,18,19)
InChIKeyWIFSPAVRVFHZRX-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.29
Rot. Bonds2

About N-(4-tert-butylphenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide

N-(4-tert-butylphenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 23151044) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID23151044
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(4-tert-butylphenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc[nH]c2=S)cc1
InChIInChI=1S/C16H18N2OS/c1-16(2,3)11-6-8-12(9-7-11)18-14(19)13-5-4-10-17-15(13)20/h4-10H,1-3H3,(H,17,20)(H,18,19)
InChIKeyWIFSPAVRVFHZRX-UHFFFAOYSA-N
XLogP4.29
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 111422579
1-N,2-N,3-N-tris(4-tert-butylphenyl)benzene-1,2,3-tricarboxamide
CID 70017205
N-(4-tert-butylphenyl)-2-(methylamino)benzamide
CID 60706403
N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 37243915
N-[[1-(4-tert-butylphenyl)cyclobutyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99634265
N-[4-(cyclopentylmethyl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 163492328
1-N,4-N-bis(4-tert-butylphenyl)naphthalene-1,4-dicarboxamide
CID 67816317
N-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 37395388
N-(2-hydroxy-2-phenylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 111334735
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 47057728
N-(3-benzyl-4-methoxyphenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 18206628
5-amino-N-(4-tert-butylphenyl)-1H-pyrazole-4-carboxamide
CID 43337152

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 23151044) is N-(4-tert-butylphenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide is CC(C)(C)c1ccc(NC(=O)c2ccc[nH]c2=S)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is WIFSPAVRVFHZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-16(2,3)11-6-8-12(9-7-11)18-14(19)13-5-4-10-17-15(13)20/h4-10H,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-(4-tert-butylphenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-(4-tert-butylphenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 23151044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).