N-(cyclohexylmethyl)-2-methylsulfanylpyridine-3-carboxamide

C14H20N2OS — CID 2572037

IUPACN-(cyclohexylmethyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCC1CCCCC1
InChIInChI=1S/C14H20N2OS/c1-18-14-12(8-5-9-15-14)13(17)16-10-11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7,10H2,1H3,(H,16,17)
InChIKeyHTMBCOXHKJVSRZ-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.11
Rot. Bonds4

About N-(cyclohexylmethyl)-2-methylsulfanylpyridine-3-carboxamide

N-(cyclohexylmethyl)-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 2572037) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-methylsulfanylpyridine-3-carboxamide
PubChem CID2572037
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-(cyclohexylmethyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCC1CCCCC1
InChIInChI=1S/C14H20N2OS/c1-18-14-12(8-5-9-15-14)13(17)16-10-11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7,10H2,1H3,(H,16,17)
InChIKeyHTMBCOXHKJVSRZ-UHFFFAOYSA-N
XLogP3.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-2-methylsulfanylpyridine-3-carboxamide (CID 2572037) is N-(cyclohexylmethyl)-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is HTMBCOXHKJVSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-18-14-12(8-5-9-15-14)13(17)16-10-11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7,10H2,1H3,(H,16,17).
What are the key properties of N-(cyclohexylmethyl)-2-methylsulfanylpyridine-3-carboxamide?
N-(cyclohexylmethyl)-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 2572037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).