N-(3-carbamothioylphenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide

C15H15N3O2S — CID 62962868

IUPACN-(3-carbamothioylphenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
SMILESCc1ccn(CC(=O)Nc2cccc(C(N)=S)c2)c(=O)c1
InChIInChI=1S/C15H15N3O2S/c1-10-5-6-18(14(20)7-10)9-13(19)17-12-4-2-3-11(8-12)15(16)21/h2-8H,9H2,1H3,(H2,16,21)(H,17,19)
InChIKeyOSQGQFBYCODGPL-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.43
Rot. Bonds4

About N-(3-carbamothioylphenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide

N-(3-carbamothioylphenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide (PubChem CID 62962868) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
PubChem CID62962868
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(3-carbamothioylphenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
SMILESCc1ccn(CC(=O)Nc2cccc(C(N)=S)c2)c(=O)c1
InChIInChI=1S/C15H15N3O2S/c1-10-5-6-18(14(20)7-10)9-13(19)17-12-4-2-3-11(8-12)15(16)21/h2-8H,9H2,1H3,(H2,16,21)(H,17,19)
InChIKeyOSQGQFBYCODGPL-UHFFFAOYSA-N
XLogP1.43
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.43
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

N-(3-bromophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 115614106
N-(3-carbamothioylphenyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 28945240
N-(3-carbamothioylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
CID 39147975
N-(3-carbamothioylphenyl)-3-(3-methylphenyl)propanamide
CID 62365693
N-(2-aminophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 62962477
N-(3-carbamothioylphenyl)-2-piperidin-1-ylacetamide
CID 24691128
2-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-(3-methylphenyl)acetamide
CID 79354801
N-(3-carbamothioylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 28543386
N-(3-carbamothioylphenyl)-3,5-dimethylbenzamide
CID 24707336
N-(3-carbamothioylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 82032292
N-(3-carbamothioylphenyl)-3-methoxypropanamide
CID 24705451
2-(3-ethyl-2-oxoimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 116624138

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(3-carbamothioylphenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide (CID 62962868) is N-(3-carbamothioylphenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide is Cc1ccn(CC(=O)Nc2cccc(C(N)=S)c2)c(=O)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide?
The InChIKey is OSQGQFBYCODGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-5-6-18(14(20)7-10)9-13(19)17-12-4-2-3-11(8-12)15(16)21/h2-8H,9H2,1H3,(H2,16,21)(H,17,19).
What are the key properties of N-(3-carbamothioylphenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide?
N-(3-carbamothioylphenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide has a molecular weight of 301.37 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 62962868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).