N-carbamothioyl-2-(1H-indol-3-yl)-6-methylpyridine-3-carboxamide

C16H14N4OS — CID 175403473

IUPACN-carbamothioyl-2-(1H-indol-3-yl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(N)=S)c(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C16H14N4OS/c1-9-6-7-11(15(21)20-16(17)22)14(19-9)12-8-18-13-5-3-2-4-10(12)13/h2-8,18H,1H3,(H3,17,20,21,22)
InChIKeyOTUQBIGXCAGZHL-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.51
Rot. Bonds2

About N-carbamothioyl-2-(1H-indol-3-yl)-6-methylpyridine-3-carboxamide

N-carbamothioyl-2-(1H-indol-3-yl)-6-methylpyridine-3-carboxamide (PubChem CID 175403473) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is N-carbamothioyl-2-(1H-indol-3-yl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-carbamothioyl-2-(1H-indol-3-yl)-6-methylpyridine-3-carboxamide
PubChem CID175403473
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC NameN-carbamothioyl-2-(1H-indol-3-yl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(N)=S)c(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C16H14N4OS/c1-9-6-7-11(15(21)20-16(17)22)14(19-9)12-8-18-13-5-3-2-4-10(12)13/h2-8,18H,1H3,(H3,17,20,21,22)
InChIKeyOTUQBIGXCAGZHL-UHFFFAOYSA-N
XLogP2.51
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 116867715
methyl 2-(1H-indol-3-yl)benzoate
CID 67678189
methyl 2-(1H-indol-3-yl)pyridine-3-carboxylate
CID 15287367
2-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962888
4-(1H-indol-3-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 82487831
3-(1H-indol-3-yl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 136995809
2-(4-oxo-1H-quinolin-3-yl)benzamide
CID 154148110
1-[2-(1H-indol-3-yl)phenyl]propan-1-one
CID 174611519
N-(N'-ethylcarbamimidoyl)-1H-indole-3-carboxamide;hydrochloride
CID 67661934
methyl 3-amino-4-(1H-indol-3-yl)benzoate
CID 175425319
2-(1H-indol-3-yl)aniline
CID 25210227
2-[1-tert-butyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]acetamide
CID 137214520

Frequently Asked Questions

What is the IUPAC name of N-carbamothioyl-2-(1H-indol-3-yl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-carbamothioyl-2-(1H-indol-3-yl)-6-methylpyridine-3-carboxamide (CID 175403473) is N-carbamothioyl-2-(1H-indol-3-yl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-carbamothioyl-2-(1H-indol-3-yl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-carbamothioyl-2-(1H-indol-3-yl)-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NC(N)=S)c(-c2c[nH]c3ccccc23)n1.
What is the InChIKey of N-carbamothioyl-2-(1H-indol-3-yl)-6-methylpyridine-3-carboxamide?
The InChIKey is OTUQBIGXCAGZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-9-6-7-11(15(21)20-16(17)22)14(19-9)12-8-18-13-5-3-2-4-10(12)13/h2-8,18H,1H3,(H3,17,20,21,22).
What are the key properties of N-carbamothioyl-2-(1H-indol-3-yl)-6-methylpyridine-3-carboxamide?
N-carbamothioyl-2-(1H-indol-3-yl)-6-methylpyridine-3-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 2.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamothioyl-2-(1H-indol-3-yl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 175403473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).