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

C13H10Cl2N2OS — CID 134914068

IUPACN-(2,4-dichlorophenyl)-6-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)c(=S)[nH]1
InChIInChI=1S/C13H10Cl2N2OS/c1-7-2-4-9(13(19)16-7)12(18)17-11-5-3-8(14)6-10(11)15/h2-6H,1H3,(H,16,19)(H,17,18)
InChIKeyXYYUFZFACLVESK-UHFFFAOYSA-N
MW313.21 g/mol
LogP4.61
Rot. Bonds2

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

N-(2,4-dichlorophenyl)-6-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 134914068) has the molecular formula C13H10Cl2N2OS and a molecular weight of 313.21 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-6-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-6-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID134914068
Molecular FormulaC13H10Cl2N2OS
Molecular Weight313.21 g/mol
Exact Mass311.99
IUPAC NameN-(2,4-dichlorophenyl)-6-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)c(=S)[nH]1
InChIInChI=1S/C13H10Cl2N2OS/c1-7-2-4-9(13(19)16-7)12(18)17-11-5-3-8(14)6-10(11)15/h2-6H,1H3,(H,16,19)(H,17,18)
InChIKeyXYYUFZFACLVESK-UHFFFAOYSA-N
XLogP4.61
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 54.61
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

2,4-diamino-N-(2,4-dichlorophenyl)benzamide
CID 61091411
N-(2,4-dichlorophenyl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 110698785
2,4-dichloro-N-(2,4-diaminophenyl)benzamide
CID 3289915
N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-3-carboxamide
CID 84554043
N-(2,4-dichlorophenyl)-2-[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]benzamide
CID 5150334
3,6-dichloro-N-(2,4-dichlorophenyl)pyridazine-4-carboxamide
CID 13456235
N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110864096
4-tert-butyl-N-(2,4-dichlorophenyl)benzamide
CID 773784
2-[(2,4-dichlorophenyl)carbamoyl]benzoic acid
CID 3883439
2,4-dichloro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 849254
N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31509073
6-[(2,4-dichlorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453082

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-6-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-6-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 134914068) is N-(2,4-dichlorophenyl)-6-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-6-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-6-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)c(=S)[nH]1.
What is the InChIKey of N-(2,4-dichlorophenyl)-6-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is XYYUFZFACLVESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2OS/c1-7-2-4-9(13(19)16-7)12(18)17-11-5-3-8(14)6-10(11)15/h2-6H,1H3,(H,16,19)(H,17,18).
What are the key properties of N-(2,4-dichlorophenyl)-6-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-(2,4-dichlorophenyl)-6-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 313.21 g/mol, XLogP of 4.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-6-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 134914068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).