5-[(2R)-1-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide

C21H24N4OS — CID 31042700

About 5-[(2R)-1-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide

5-[(2R)-1-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 31042700) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 5-[(2R)-1-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2R)-1-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide
• PubChem CID: 31042700
• Molecular Formula: C21H24N4OS
• Molecular Weight: 380.52 g/mol
• Exact Mass: 380.17
• IUPAC Name: 5-[(2R)-1-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide
• SMILES: Cc1cc(CN2CCC[C@@H]2c2ccc(C(N)=O)s2)c(C)n1-c1cccnc1
• InChI: InChI=1S/C21H24N4OS/c1-14-11-16(15(2)25(14)17-5-3-9-23-12-17)13-24-10-4-6-18(24)19-7-8-20(27-19)21(22)26/h3,5,7-9,11-12,18H,4,6,10,13H2,1-2H3,(H2,22,26)/t18-/m1/s1
• InChIKey: NVKRZRJZYAZDBX-GOSISDBHSA-N
• XLogP: 3.99
• TPSA: 64.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.52
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide?

The IUPAC name of 5-[(2R)-1-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide (CID 31042700) is 5-[(2R)-1-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for 5-[(2R)-1-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide?

The canonical SMILES for 5-[(2R)-1-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide is Cc1cc(CN2CCC[C@@H]2c2ccc(C(N)=O)s2)c(C)n1-c1cccnc1.

What is the InChIKey of 5-[(2R)-1-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide?

The InChIKey is NVKRZRJZYAZDBX-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-14-11-16(15(2)25(14)17-5-3-9-23-12-17)13-24-10-4-6-18(24)19-7-8-20(27-19)21(22)26/h3,5,7-9,11-12,18H,4,6,10,13H2,1-2H3,(H2,22,26)/t18-/m1/s1.

What are the key properties of 5-[(2R)-1-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide?

5-[(2R)-1-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 380.52 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R)-1-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 31042700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).