5-chloro-N-[1-(methylamino)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propan-2-yl]thiophene-2-carboxamide

C21H21ClN4O3S — CID 10433624

About 5-chloro-N-[1-(methylamino)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propan-2-yl]thiophene-2-carboxamide

5-chloro-N-[1-(methylamino)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propan-2-yl]thiophene-2-carboxamide (PubChem CID 10433624) has the molecular formula C21H21ClN4O3S and a molecular weight of 444.94 g/mol. Its IUPAC name is 5-chloro-N-[1-(methylamino)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[1-(methylamino)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propan-2-yl]thiophene-2-carboxamide
• PubChem CID: 10433624
• Molecular Formula: C21H21ClN4O3S
• Molecular Weight: 444.94 g/mol
• Exact Mass: 444.10
• IUPAC Name: 5-chloro-N-[1-(methylamino)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propan-2-yl]thiophene-2-carboxamide
• SMILES: CNCC(CNC(=O)c1ccc(-n2ccccc2=O)cc1)NC(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C21H21ClN4O3S/c1-23-12-15(25-21(29)17-9-10-18(22)30-17)13-24-20(28)14-5-7-16(8-6-14)26-11-3-2-4-19(26)27/h2-11,15,23H,12-13H2,1H3,(H,24,28)(H,25,29)
• InChIKey: LGPMMPDWRHFRRG-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 92.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.94
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(methylamino)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propan-2-yl]thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[1-(methylamino)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propan-2-yl]thiophene-2-carboxamide (CID 10433624) is 5-chloro-N-[1-(methylamino)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[1-(methylamino)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[1-(methylamino)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propan-2-yl]thiophene-2-carboxamide is CNCC(CNC(=O)c1ccc(-n2ccccc2=O)cc1)NC(=O)c1ccc(Cl)s1.

What is the InChIKey of 5-chloro-N-[1-(methylamino)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propan-2-yl]thiophene-2-carboxamide?

The InChIKey is LGPMMPDWRHFRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3S/c1-23-12-15(25-21(29)17-9-10-18(22)30-17)13-24-20(28)14-5-7-16(8-6-14)26-11-3-2-4-19(26)27/h2-11,15,23H,12-13H2,1H3,(H,24,28)(H,25,29).

What are the key properties of 5-chloro-N-[1-(methylamino)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propan-2-yl]thiophene-2-carboxamide?

5-chloro-N-[1-(methylamino)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propan-2-yl]thiophene-2-carboxamide has a molecular weight of 444.94 g/mol, XLogP of 2.30, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[1-(methylamino)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 10433624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).