1-[3-(dimethylamino)propyl]-5-oxo-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide

C19H25N5O2S — CID 108810031

About 1-[3-(dimethylamino)propyl]-5-oxo-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide

1-[3-(dimethylamino)propyl]-5-oxo-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 108810031) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-5-oxo-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[3-(dimethylamino)propyl]-5-oxo-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
• PubChem CID: 108810031
• Molecular Formula: C19H25N5O2S
• Molecular Weight: 387.51 g/mol
• Exact Mass: 387.17
• IUPAC Name: 1-[3-(dimethylamino)propyl]-5-oxo-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
• SMILES: CN(C)CCCN1CC(C(=O)NCc2csc(-c3cccnc3)n2)CC1=O
• InChI: InChI=1S/C19H25N5O2S/c1-23(2)7-4-8-24-12-15(9-17(24)25)18(26)21-11-16-13-27-19(22-16)14-5-3-6-20-10-14/h3,5-6,10,13,15H,4,7-9,11-12H2,1-2H3,(H,21,26)
• InChIKey: DLZBUUYDWULALW-UHFFFAOYSA-N
• XLogP: 1.62
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.51
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-5-oxo-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?

The IUPAC name of 1-[3-(dimethylamino)propyl]-5-oxo-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide (CID 108810031) is 1-[3-(dimethylamino)propyl]-5-oxo-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for 1-[3-(dimethylamino)propyl]-5-oxo-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?

The canonical SMILES for 1-[3-(dimethylamino)propyl]-5-oxo-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide is CN(C)CCCN1CC(C(=O)NCc2csc(-c3cccnc3)n2)CC1=O.

What is the InChIKey of 1-[3-(dimethylamino)propyl]-5-oxo-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?

The InChIKey is DLZBUUYDWULALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-23(2)7-4-8-24-12-15(9-17(24)25)18(26)21-11-16-13-27-19(22-16)14-5-3-6-20-10-14/h3,5-6,10,13,15H,4,7-9,11-12H2,1-2H3,(H,21,26).

What are the key properties of 1-[3-(dimethylamino)propyl]-5-oxo-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?

1-[3-(dimethylamino)propyl]-5-oxo-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(dimethylamino)propyl]-5-oxo-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 108810031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).