N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide

About N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide (PubChem CID 3245274) has the molecular formula C21H32N6O2S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name	N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide
PubChem CID	3245274
Molecular Formula	C21H32N6O2S
Molecular Weight	432.59 g/mol
Exact Mass	432.23
IUPAC Name	N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide
SMILES	Cc1cc(=O)n2nc(N3CCCC3C(=O)NCCCN3CC(C)CC(C)C3)sc2n1
InChI	InChI=1S/C21H32N6O2S/c1-14-10-15(2)13-25(12-14)8-5-7-22-19(29)17-6-4-9-26(17)21-24-27-18(28)11-16(3)23-20(27)30-21/h11,14-15,17H,4-10,12-13H2,1-3H3,(H,22,29)
InChIKey	PNKOOWZWQWLUHD-UHFFFAOYSA-N
XLogP	1.91
TPSA	82.84 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.59
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide?

The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide (CID 3245274) is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide.

What is the SMILES notation for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide?

The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide is Cc1cc(=O)n2nc(N3CCCC3C(=O)NCCCN3CC(C)CC(C)C3)sc2n1.

What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide?

The InChIKey is PNKOOWZWQWLUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O2S/c1-14-10-15(2)13-25(12-14)8-5-7-22-19(29)17-6-4-9-26(17)21-24-27-18(28)11-16(3)23-20(27)30-21/h11,14-15,17H,4-10,12-13H2,1-3H3,(H,22,29).

What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide?

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 432.59 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 3245274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).