5-[(1R)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide

C24H31ClN4O2S — CID 171424418

About 5-[(1R)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide

5-[(1R)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 171424418) has the molecular formula C24H31ClN4O2S and a molecular weight of 475.06 g/mol. Its IUPAC name is 5-[(1R)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(1R)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
• PubChem CID: 171424418
• Molecular Formula: C24H31ClN4O2S
• Molecular Weight: 475.06 g/mol
• Exact Mass: 474.19
• IUPAC Name: 5-[(1R)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
• SMILES: Cc1ncc(Cl)cc1N[C@H](C)c1ccc(C(=O)N[C@@H](CC2CCCC2)C(=O)NC2CC2)s1
• InChI: InChI=1S/C24H31ClN4O2S/c1-14-19(12-17(25)13-26-14)27-15(2)21-9-10-22(32-21)24(31)29-20(11-16-5-3-4-6-16)23(30)28-18-7-8-18/h9-10,12-13,15-16,18,20,27H,3-8,11H2,1-2H3,(H,28,30)(H,29,31)/t15-,20+/m1/s1
• InChIKey: AQERDDIRPBNRJK-QRWLVFNGSA-N
• XLogP: 5.24
• TPSA: 83.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.06
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?

The IUPAC name of 5-[(1R)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 171424418) is 5-[(1R)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for 5-[(1R)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for 5-[(1R)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide is Cc1ncc(Cl)cc1N[C@H](C)c1ccc(C(=O)N[C@@H](CC2CCCC2)C(=O)NC2CC2)s1.

What is the InChIKey of 5-[(1R)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?

The InChIKey is AQERDDIRPBNRJK-QRWLVFNGSA-N. The full InChI is InChI=1S/C24H31ClN4O2S/c1-14-19(12-17(25)13-26-14)27-15(2)21-9-10-22(32-21)24(31)29-20(11-16-5-3-4-6-16)23(30)28-18-7-8-18/h9-10,12-13,15-16,18,20,27H,3-8,11H2,1-2H3,(H,28,30)(H,29,31)/t15-,20+/m1/s1.

What are the key properties of 5-[(1R)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?

5-[(1R)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 475.06 g/mol, XLogP of 5.24, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1R)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 171424418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).