6-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbothioamide

C14H20N4OS — CID 63747788

IUPAC6-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbothioamide
SMILESCN(C)CC1CCCN1C(=O)c1ccc(C(N)=S)cn1
InChIInChI=1S/C14H20N4OS/c1-17(2)9-11-4-3-7-18(11)14(19)12-6-5-10(8-16-12)13(15)20/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,15,20)
InChIKeyBXDZDHMOMKGWMM-UHFFFAOYSA-N
MW292.41 g/mol
LogP0.88
Rot. Bonds4

About 6-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbothioamide

6-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbothioamide (PubChem CID 63747788) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 6-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbothioamide
PubChem CID63747788
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name6-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbothioamide
SMILESCN(C)CC1CCCN1C(=O)c1ccc(C(N)=S)cn1
InChIInChI=1S/C14H20N4OS/c1-17(2)9-11-4-3-7-18(11)14(19)12-6-5-10(8-16-12)13(15)20/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,15,20)
InChIKeyBXDZDHMOMKGWMM-UHFFFAOYSA-N
XLogP0.88
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 81316793
[5-(aminomethyl)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 63723390
6-(2,3-dimethylpiperidine-1-carbonyl)pyridine-3-carbothioamide
CID 63748326
[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 95591150
(5-chloro-6-hydrazinyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62890279
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[6-(ethylamino)pyridazin-3-yl]methanone
CID 62889950
N'-hydroxy-6-(2-methylpyrrolidine-1-carbonyl)pyridine-3-carboximidamide
CID 77005324
6-[4-(methoxymethyl)piperidine-1-carbonyl]pyridine-3-carbothioamide
CID 63980352
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone
CID 107375498
5-(2-ethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
CID 54885795
(4-amino-3-hydroxyphenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 107075186
6-(3-ethoxypiperidine-1-carbonyl)pyridine-3-carbothioamide
CID 63748489

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbothioamide?
The IUPAC name of 6-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbothioamide (CID 63747788) is 6-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbothioamide.
What is the SMILES notation for 6-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbothioamide?
The canonical SMILES for 6-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbothioamide is CN(C)CC1CCCN1C(=O)c1ccc(C(N)=S)cn1.
What is the InChIKey of 6-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbothioamide?
The InChIKey is BXDZDHMOMKGWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-17(2)9-11-4-3-7-18(11)14(19)12-6-5-10(8-16-12)13(15)20/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,15,20).
What are the key properties of 6-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbothioamide?
6-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbothioamide has a molecular weight of 292.41 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbothioamide is sourced from PubChem (CID 63747788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).