2-methyl-6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carbothioamide

C13H18N4OS — CID 114767931

IUPAC2-methyl-6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(NCC(=O)N2CCCC2)n1
InChIInChI=1S/C13H18N4OS/c1-9-6-10(13(14)19)7-11(16-9)15-8-12(18)17-4-2-3-5-17/h6-7H,2-5,8H2,1H3,(H2,14,19)(H,15,16)
InChIKeyAWQYQLSTOYOSNL-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.06
Rot. Bonds4

About 2-methyl-6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carbothioamide

2-methyl-6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carbothioamide (PubChem CID 114767931) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-methyl-6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carbothioamide
PubChem CID114767931
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-methyl-6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(NCC(=O)N2CCCC2)n1
InChIInChI=1S/C13H18N4OS/c1-9-6-10(13(14)19)7-11(16-9)15-8-12(18)17-4-2-3-5-17/h6-7H,2-5,8H2,1H3,(H2,14,19)(H,15,16)
InChIKeyAWQYQLSTOYOSNL-UHFFFAOYSA-N
XLogP1.06
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.06
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

methyl 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]acetate
CID 114767112
N-butan-2-yl-3-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]propanamide
CID 114767532
6-methyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbothioamide
CID 107548002
2-methyl-6-(propan-2-ylamino)pyridine-4-carbothioamide
CID 58503833
[2-methyl-6-(propylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 113378946
2-methyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 137015554
2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-piperidin-1-ylethanone
CID 108993555
2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbothioamide
CID 114767545
2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 114767933
2-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carbothioamide
CID 114767799
2-methyl-6-[(4-propan-2-ylphenyl)methylamino]pyridine-4-carbothioamide
CID 114767533
4-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 114767803

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carbothioamide?
The IUPAC name of 2-methyl-6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carbothioamide (CID 114767931) is 2-methyl-6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carbothioamide.
What is the SMILES notation for 2-methyl-6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carbothioamide?
The canonical SMILES for 2-methyl-6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(NCC(=O)N2CCCC2)n1.
What is the InChIKey of 2-methyl-6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carbothioamide?
The InChIKey is AWQYQLSTOYOSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-9-6-10(13(14)19)7-11(16-9)15-8-12(18)17-4-2-3-5-17/h6-7H,2-5,8H2,1H3,(H2,14,19)(H,15,16).
What are the key properties of 2-methyl-6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carbothioamide?
2-methyl-6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carbothioamide has a molecular weight of 278.38 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carbothioamide is sourced from PubChem (CID 114767931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).