5-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide

C16H15N3OS — CID 107854445

IUPAC5-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide
SMILESNC(=S)c1ccc(C(=O)NC2Cc3ccccc3C2)nc1
InChIInChI=1S/C16H15N3OS/c17-15(21)12-5-6-14(18-9-12)16(20)19-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13H,7-8H2,(H2,17,21)(H,19,20)
InChIKeyGFJCGCIOCUFBSN-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.61
Rot. Bonds3

About 5-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide

5-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide (PubChem CID 107854445) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide
PubChem CID107854445
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name5-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide
SMILESNC(=S)c1ccc(C(=O)NC2Cc3ccccc3C2)nc1
InChIInChI=1S/C16H15N3OS/c17-15(21)12-5-6-14(18-9-12)16(20)19-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13H,7-8H2,(H2,17,21)(H,19,20)
InChIKeyGFJCGCIOCUFBSN-UHFFFAOYSA-N
XLogP1.61
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-carbamothioyl-N-cyclopentylpyridine-2-carboxamide
CID 55230781
5-carbamothioyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 55229060
N-(2,3-dihydro-1H-inden-2-yl)-5-hydrazinylpyridine-2-carboxamide
CID 114009488
5-carbamothioyl-N-phenylpyridine-2-carboxamide
CID 63723576
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2-carboxamide
CID 62953418
5-carbamothioyl-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 65469584
5-carbamothioyl-N-(2-cyclopentylethyl)pyridine-2-carboxamide
CID 55230785
6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carbothioamide
CID 63724580
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
2-N,5-N-dicyclohexylpyridine-2,5-dicarboxamide
CID 5195107
5-carbamothioyl-N-pyridin-3-ylpyridine-2-carboxamide
CID 63723754
N-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybenzamide
CID 104694730

Frequently Asked Questions

What is the IUPAC name of 5-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide (CID 107854445) is 5-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide is NC(=S)c1ccc(C(=O)NC2Cc3ccccc3C2)nc1.
What is the InChIKey of 5-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide?
The InChIKey is GFJCGCIOCUFBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c17-15(21)12-5-6-14(18-9-12)16(20)19-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13H,7-8H2,(H2,17,21)(H,19,20).
What are the key properties of 5-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide?
5-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 107854445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).