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

C14H12Cl2N2OS — CID 43054352

IUPACN-[(2,4-dichlorophenyl)methyl]-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc[nH]c1=S
InChIInChI=1S/C14H12Cl2N2OS/c1-18(8-9-4-5-10(15)7-12(9)16)14(19)11-3-2-6-17-13(11)20/h2-7H,8H2,1H3,(H,17,20)
InChIKeyOOKVRBHMCSSVMW-UHFFFAOYSA-N
MW327.24 g/mol
LogP4.32
Rot. Bonds3

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

N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 43054352) has the molecular formula C14H12Cl2N2OS and a molecular weight of 327.24 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID43054352
Molecular FormulaC14H12Cl2N2OS
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc[nH]c1=S
InChIInChI=1S/C14H12Cl2N2OS/c1-18(8-9-4-5-10(15)7-12(9)16)14(19)11-3-2-6-17-13(11)20/h2-7H,8H2,1H3,(H,17,20)
InChIKeyOOKVRBHMCSSVMW-UHFFFAOYSA-N
XLogP4.32
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 61118651
N-[(4-fluorophenyl)methyl]-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 134057227
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
4-chloro-N-[(2,4-dichlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 81227711
N-butyl-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 52561835
3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 61117248
3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 60775674
6-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 9417730
N-[(2,4-dichlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide
CID 103732013
N-[(2,4-dichlorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide
CID 62847986
4-bromo-N-[(2,4-dichlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 60698328
N-[2-(2,4-dichlorophenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 46651015

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 43054352) is N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide is CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc[nH]c1=S.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is OOKVRBHMCSSVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2OS/c1-18(8-9-4-5-10(15)7-12(9)16)14(19)11-3-2-6-17-13(11)20/h2-7H,8H2,1H3,(H,17,20).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 327.24 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 43054352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).