N-(4-carbamothioyl-1-methylpiperidin-4-yl)-6-methylpyridine-3-carboxamide

C14H20N4OS — CID 61122944

IUPACN-(4-carbamothioyl-1-methylpiperidin-4-yl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2(C(N)=S)CCN(C)CC2)cn1
InChIInChI=1S/C14H20N4OS/c1-10-3-4-11(9-16-10)12(19)17-14(13(15)20)5-7-18(2)8-6-14/h3-4,9H,5-8H2,1-2H3,(H2,15,20)(H,17,19)
InChIKeyCCSIZKUECWYINX-UHFFFAOYSA-N
MW292.41 g/mol
LogP0.87
Rot. Bonds3

About N-(4-carbamothioyl-1-methylpiperidin-4-yl)-6-methylpyridine-3-carboxamide

N-(4-carbamothioyl-1-methylpiperidin-4-yl)-6-methylpyridine-3-carboxamide (PubChem CID 61122944) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-(4-carbamothioyl-1-methylpiperidin-4-yl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1-methylpiperidin-4-yl)-6-methylpyridine-3-carboxamide
PubChem CID61122944
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-(4-carbamothioyl-1-methylpiperidin-4-yl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2(C(N)=S)CCN(C)CC2)cn1
InChIInChI=1S/C14H20N4OS/c1-10-3-4-11(9-16-10)12(19)17-14(13(15)20)5-7-18(2)8-6-14/h3-4,9H,5-8H2,1-2H3,(H2,15,20)(H,17,19)
InChIKeyCCSIZKUECWYINX-UHFFFAOYSA-N
XLogP0.87
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-carbamothioyl-1-methylpiperidin-4-yl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(4-carbamothioyl-1-methylpiperidin-4-yl)-6-methylpyridine-3-carboxamide (CID 61122944) is N-(4-carbamothioyl-1-methylpiperidin-4-yl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-carbamothioyl-1-methylpiperidin-4-yl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(4-carbamothioyl-1-methylpiperidin-4-yl)-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NC2(C(N)=S)CCN(C)CC2)cn1.
What is the InChIKey of N-(4-carbamothioyl-1-methylpiperidin-4-yl)-6-methylpyridine-3-carboxamide?
The InChIKey is CCSIZKUECWYINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-10-3-4-11(9-16-10)12(19)17-14(13(15)20)5-7-18(2)8-6-14/h3-4,9H,5-8H2,1-2H3,(H2,15,20)(H,17,19).
What are the key properties of N-(4-carbamothioyl-1-methylpiperidin-4-yl)-6-methylpyridine-3-carboxamide?
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-6-methylpyridine-3-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-1-methylpiperidin-4-yl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 61122944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).