1-(3-carbamothioyl-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide

C14H20N4OS — CID 106318499

IUPAC1-(3-carbamothioyl-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2nccc(C)c2C(N)=S)C1
InChIInChI=1S/C14H20N4OS/c1-9-4-6-17-12(10(9)11(15)20)18-7-5-14(2,8-18)13(19)16-3/h4,6H,5,7-8H2,1-3H3,(H2,15,20)(H,16,19)
InChIKeyRYQRBAIUOFVHNB-UHFFFAOYSA-N
MW292.41 g/mol
LogP0.99
Rot. Bonds3

About 1-(3-carbamothioyl-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(3-carbamothioyl-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106318499) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-(3-carbamothioyl-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-carbamothioyl-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106318499
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name1-(3-carbamothioyl-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2nccc(C)c2C(N)=S)C1
InChIInChI=1S/C14H20N4OS/c1-9-4-6-17-12(10(9)11(15)20)18-7-5-14(2,8-18)13(19)16-3/h4,6H,5,7-8H2,1-3H3,(H2,15,20)(H,16,19)
InChIKeyRYQRBAIUOFVHNB-UHFFFAOYSA-N
XLogP0.99
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 50.99
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

1-(3-cyano-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150543
4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-3-carbothioamide
CID 102743928
4-methyl-2-[4-methyl-4-(methylamino)piperidin-1-yl]pyridine-3-carboxamide
CID 115305512
1-(4-carbamothioyl-6-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318515
N,3-dimethyl-1-(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)pyrrolidine-3-carboxamide
CID 154763274
1-(4-carbamothioyl-2,6-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318501
1-(2-fluoro-4-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321026
N,3-dimethyl-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322389
1-(4-carbamothioyl-2-chlorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318487
N,3-dimethyl-1-[5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322506
1-(2-carbamothioyl-4-chlorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318502
1-(3-amino-5-bromo-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317398

Frequently Asked Questions

What is the IUPAC name of 1-(3-carbamothioyl-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-carbamothioyl-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106318499) is 1-(3-carbamothioyl-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-carbamothioyl-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-carbamothioyl-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(c2nccc(C)c2C(N)=S)C1.
What is the InChIKey of 1-(3-carbamothioyl-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is RYQRBAIUOFVHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-9-4-6-17-12(10(9)11(15)20)18-7-5-14(2,8-18)13(19)16-3/h4,6H,5,7-8H2,1-3H3,(H2,15,20)(H,16,19).
What are the key properties of 1-(3-carbamothioyl-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(3-carbamothioyl-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carbamothioyl-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106318499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).