N-cyclohexyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide

C14H20N2OS — CID 13468389

IUPACN-cyclohexyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NC2CCCCC2)c(=S)[nH]1
InChIInChI=1S/C14H20N2OS/c1-9-8-10(2)15-14(18)12(9)13(17)16-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyQQLDQFURAMTNCY-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.42
Rot. Bonds2

About N-cyclohexyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide

N-cyclohexyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 13468389) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-cyclohexyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID13468389
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-cyclohexyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NC2CCCCC2)c(=S)[nH]1
InChIInChI=1S/C14H20N2OS/c1-9-8-10(2)15-14(18)12(9)13(17)16-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyQQLDQFURAMTNCY-UHFFFAOYSA-N
XLogP3.42
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
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-cyclohexyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 13468389) is N-cyclohexyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)NC2CCCCC2)c(=S)[nH]1.
What is the InChIKey of N-cyclohexyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is QQLDQFURAMTNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-9-8-10(2)15-14(18)12(9)13(17)16-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-cyclohexyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-cyclohexyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 13468389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).