6-(quinolin-8-ylmethylamino)pyridine-3-carbothioamide

C16H14N4S — CID 81426768

IUPAC6-(quinolin-8-ylmethylamino)pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(NCc2cccc3cccnc23)nc1
InChIInChI=1S/C16H14N4S/c17-16(21)13-6-7-14(20-10-13)19-9-12-4-1-3-11-5-2-8-18-15(11)12/h1-8,10H,9H2,(H2,17,21)(H,19,20)
InChIKeyBTNWWCZPSMNZGA-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.88
Rot. Bonds4

About 6-(quinolin-8-ylmethylamino)pyridine-3-carbothioamide

6-(quinolin-8-ylmethylamino)pyridine-3-carbothioamide (PubChem CID 81426768) has the molecular formula C16H14N4S and a molecular weight of 294.38 g/mol. Its IUPAC name is 6-(quinolin-8-ylmethylamino)pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-(quinolin-8-ylmethylamino)pyridine-3-carbothioamide
PubChem CID81426768
Molecular FormulaC16H14N4S
Molecular Weight294.38 g/mol
Exact Mass294.09
IUPAC Name6-(quinolin-8-ylmethylamino)pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(NCc2cccc3cccnc23)nc1
InChIInChI=1S/C16H14N4S/c17-16(21)13-6-7-14(20-10-13)19-9-12-4-1-3-11-5-2-8-18-15(11)12/h1-8,10H,9H2,(H2,17,21)(H,19,20)
InChIKeyBTNWWCZPSMNZGA-UHFFFAOYSA-N
XLogP2.88
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.88
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

6-[(2-methylphenyl)methylamino]pyridine-3-carbothioamide
CID 54944875
4-(quinolin-8-ylmethylamino)pyridine-2-carbothioamide
CID 81426601
4-methyl-2-N-(quinolin-8-ylmethyl)pyridine-2,5-diamine
CID 81426632
4-(quinolin-8-ylmethylamino)benzoic acid
CID 43321603
2-hydrazinyl-N-(quinolin-8-ylmethyl)pyrimidin-4-amine
CID 81423611
6-[(4-methylphenyl)methylamino]pyridine-3-carbothioamide
CID 24695549
N-(quinolin-8-ylmethyl)aniline
CID 28610045
5-bromo-N-(quinolin-8-ylmethyl)pyrimidin-2-amine
CID 78953418
6-(pyridin-3-ylmethylamino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109157913
3-(quinolin-8-ylmethoxy)benzenecarbothioamide
CID 28775042
2-(naphthalen-1-ylmethylamino)pyridine-4-carbothioamide
CID 62370127
2-(quinolin-8-ylmethylsulfamoyl)ethanethioamide
CID 81426311

Frequently Asked Questions

What is the IUPAC name of 6-(quinolin-8-ylmethylamino)pyridine-3-carbothioamide?
The IUPAC name of 6-(quinolin-8-ylmethylamino)pyridine-3-carbothioamide (CID 81426768) is 6-(quinolin-8-ylmethylamino)pyridine-3-carbothioamide.
What is the SMILES notation for 6-(quinolin-8-ylmethylamino)pyridine-3-carbothioamide?
The canonical SMILES for 6-(quinolin-8-ylmethylamino)pyridine-3-carbothioamide is NC(=S)c1ccc(NCc2cccc3cccnc23)nc1.
What is the InChIKey of 6-(quinolin-8-ylmethylamino)pyridine-3-carbothioamide?
The InChIKey is BTNWWCZPSMNZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4S/c17-16(21)13-6-7-14(20-10-13)19-9-12-4-1-3-11-5-2-8-18-15(11)12/h1-8,10H,9H2,(H2,17,21)(H,19,20).
What are the key properties of 6-(quinolin-8-ylmethylamino)pyridine-3-carbothioamide?
6-(quinolin-8-ylmethylamino)pyridine-3-carbothioamide has a molecular weight of 294.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(quinolin-8-ylmethylamino)pyridine-3-carbothioamide is sourced from PubChem (CID 81426768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).