N-(2,6-dichlorophenyl)-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide

C14H12Cl2N2OS — CID 13468394

IUPACN-(2,6-dichlorophenyl)-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)Nc2c(Cl)cccc2Cl)c(=S)[nH]1
InChIInChI=1S/C14H12Cl2N2OS/c1-7-6-8(2)17-14(20)11(7)13(19)18-12-9(15)4-3-5-10(12)16/h3-6H,1-2H3,(H,17,20)(H,18,19)
InChIKeyGVCZKLDSOXXYKP-UHFFFAOYSA-N
MW327.24 g/mol
LogP4.92
Rot. Bonds2

About N-(2,6-dichlorophenyl)-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide

N-(2,6-dichlorophenyl)-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 13468394) has the molecular formula C14H12Cl2N2OS and a molecular weight of 327.24 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID13468394
Molecular FormulaC14H12Cl2N2OS
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC NameN-(2,6-dichlorophenyl)-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)Nc2c(Cl)cccc2Cl)c(=S)[nH]1
InChIInChI=1S/C14H12Cl2N2OS/c1-7-6-8(2)17-14(20)11(7)13(19)18-12-9(15)4-3-5-10(12)16/h3-6H,1-2H3,(H,17,20)(H,18,19)
InChIKeyGVCZKLDSOXXYKP-UHFFFAOYSA-N
XLogP4.92
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 54.92
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

2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
N-(2,6-dichlorophenyl)-2,6-dimethoxybenzamide
CID 3653582
N-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate
CID 51058525
2,4,6-trimethyl-N-(2,4,6-trichlorophenyl)benzamide
CID 167943386
2-amino-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 65468476
2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 114023836
N-(2,6-dimethylphenyl)-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 110272704
2-amino-6-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 63659648
N-(2-chloro-6-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 141390702
7-amino-N-(2-chloro-6-methylphenyl)-1H-indole-2-carboxamide
CID 66251996
4-chloro-N-[(4,6-dimethyl-2-sulfanylidene-1H-pyridin-3-yl)methyl]benzamide
CID 672153
N-(2,6-dichlorophenyl)-2-fluoro-6-hydroxybenzamide
CID 107015267

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 13468394) is N-(2,6-dichlorophenyl)-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)Nc2c(Cl)cccc2Cl)c(=S)[nH]1.
What is the InChIKey of N-(2,6-dichlorophenyl)-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is GVCZKLDSOXXYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2OS/c1-7-6-8(2)17-14(20)11(7)13(19)18-12-9(15)4-3-5-10(12)16/h3-6H,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-(2,6-dichlorophenyl)-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-(2,6-dichlorophenyl)-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 327.24 g/mol, XLogP of 4.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 13468394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).