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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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).