N-[3-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide

C20H26N4O3S — CID 42932311

About N-[3-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide

N-[3-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide (PubChem CID 42932311) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[3-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
• PubChem CID: 42932311
• Molecular Formula: C20H26N4O3S
• Molecular Weight: 402.52 g/mol
• Exact Mass: 402.17
• IUPAC Name: N-[3-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
• SMILES: CC(C)C(NC(=O)c1cccs1)C(=O)NCc1ccc(N2CCOCC2)nc1
• InChI: InChI=1S/C20H26N4O3S/c1-14(2)18(23-19(25)16-4-3-11-28-16)20(26)22-13-15-5-6-17(21-12-15)24-7-9-27-10-8-24/h3-6,11-12,14,18H,7-10,13H2,1-2H3,(H,22,26)(H,23,25)
• InChIKey: FKGWBBVYOLZGTN-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.52
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[3-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide (CID 42932311) is N-[3-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[3-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[3-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide is CC(C)C(NC(=O)c1cccs1)C(=O)NCc1ccc(N2CCOCC2)nc1.

What is the InChIKey of N-[3-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide?

The InChIKey is FKGWBBVYOLZGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-14(2)18(23-19(25)16-4-3-11-28-16)20(26)22-13-15-5-6-17(21-12-15)24-7-9-27-10-8-24/h3-6,11-12,14,18H,7-10,13H2,1-2H3,(H,22,26)(H,23,25).

What are the key properties of N-[3-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide?

N-[3-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 42932311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).