N-[(6-methoxy-3-pyridinyl)carbamothioyl]benzamide

C14H13N3O2S — CID 849673

IUPACN-[(6-methoxy-3-pyridinyl)carbamothioyl]benzamide
SMILESCOc1ccc(NC(=S)NC(=O)c2ccccc2)cn1
InChIInChI=1S/C14H13N3O2S/c1-19-12-8-7-11(9-15-12)16-14(20)17-13(18)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,20)
InChIKeyVJPFOXARDAFIMI-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.22
Rot. Bonds3

About N-[(6-methoxy-3-pyridinyl)carbamothioyl]benzamide

N-[(6-methoxy-3-pyridinyl)carbamothioyl]benzamide (PubChem CID 849673) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)carbamothioyl]benzamide
PubChem CID849673
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN-[(6-methoxy-3-pyridinyl)carbamothioyl]benzamide
SMILESCOc1ccc(NC(=S)NC(=O)c2ccccc2)cn1
InChIInChI=1S/C14H13N3O2S/c1-19-12-8-7-11(9-15-12)16-14(20)17-13(18)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,20)
InChIKeyVJPFOXARDAFIMI-UHFFFAOYSA-N
XLogP2.22
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-N-(pyridin-3-yl)acetamide
CID 799060
3-methoxy-N-(pyridin-3-yl)benzamide
CID 777049
3-chloro-4-methoxy-N-(pyridin-3-ylcarbamothioyl)benzamide
CID 802066
4-(4-methoxyphenyl)-4-oxo-N-(3-pyridyl)butanamide
CID 1090583
N-[6-(Cyclohexanecarbonyl-amino)-pyridin-3-yl]-3-methoxy-benzamide
CID 1452688
N-[6-(cyclopropanecarbonylamino)pyridin-3-yl]-3-methoxybenzamide
CID 1452890
4-Methoxy-N-(5-phenylacetylamino-pyridin-2-yl)-benzamide
CID 1452908
2-Methoxy-5-[(4-methylbenzoyl)amino]-1-pyridiniumolate
CID 1473379
5-[(4-Chlorobenzoyl)amino]-2-methoxy-1-pyridiniumolate
CID 1487355
N-(6-methoxypyridin-3-yl)-3-phenoxybenzamide
CID 16295584
N-((2-chloropyridin-3-yl)carbamothioyl)-2-methoxybenzamide
CID 768734
3-butoxy-N-(pyridin-3-ylcarbamothioyl)benzamide
CID 1716214

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)carbamothioyl]benzamide?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)carbamothioyl]benzamide (CID 849673) is N-[(6-methoxy-3-pyridinyl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)carbamothioyl]benzamide?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)carbamothioyl]benzamide is COc1ccc(NC(=S)NC(=O)c2ccccc2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)carbamothioyl]benzamide?
The InChIKey is VJPFOXARDAFIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-19-12-8-7-11(9-15-12)16-14(20)17-13(18)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,20).
What are the key properties of N-[(6-methoxy-3-pyridinyl)carbamothioyl]benzamide?
N-[(6-methoxy-3-pyridinyl)carbamothioyl]benzamide has a molecular weight of 287.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)carbamothioyl]benzamide is sourced from PubChem (CID 849673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).