2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbothioamide

C15H24N4S — CID 114767545

IUPAC2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(NCC2CCN(C(C)C)C2)n1
InChIInChI=1S/C15H24N4S/c1-10(2)19-5-4-12(9-19)8-17-14-7-13(15(16)20)6-11(3)18-14/h6-7,10,12H,4-5,8-9H2,1-3H3,(H2,16,20)(H,17,18)
InChIKeyDUOYKEOBOVJWOW-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.17
Rot. Bonds5

About 2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbothioamide

2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbothioamide (PubChem CID 114767545) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbothioamide
PubChem CID114767545
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(NCC2CCN(C(C)C)C2)n1
InChIInChI=1S/C15H24N4S/c1-10(2)19-5-4-12(9-19)8-17-14-7-13(15(16)20)6-11(3)18-14/h6-7,10,12H,4-5,8-9H2,1-3H3,(H2,16,20)(H,17,18)
InChIKeyDUOYKEOBOVJWOW-UHFFFAOYSA-N
XLogP2.17
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbothioamide?
The IUPAC name of 2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbothioamide (CID 114767545) is 2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbothioamide.
What is the SMILES notation for 2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbothioamide?
The canonical SMILES for 2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(NCC2CCN(C(C)C)C2)n1.
What is the InChIKey of 2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbothioamide?
The InChIKey is DUOYKEOBOVJWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-10(2)19-5-4-12(9-19)8-17-14-7-13(15(16)20)6-11(3)18-14/h6-7,10,12H,4-5,8-9H2,1-3H3,(H2,16,20)(H,17,18).
What are the key properties of 2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbothioamide?
2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbothioamide has a molecular weight of 292.45 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbothioamide is sourced from PubChem (CID 114767545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).