N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridazine-3-carboxamide

C23H25N5O4 — CID 46207129

About N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridazine-3-carboxamide

N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridazine-3-carboxamide (PubChem CID 46207129) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridazine-3-carboxamide
• PubChem CID: 46207129
• Molecular Formula: C23H25N5O4
• Molecular Weight: 435.48 g/mol
• Exact Mass: 435.19
• IUPAC Name: N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridazine-3-carboxamide
• SMILES: CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cccnn3)c2)o1)C(C)C
• InChI: InChI=1S/C23H25N5O4/c1-14(2)20(23(31)24-3)27-22(30)19-10-9-18(32-19)16-7-4-6-15(12-16)13-25-21(29)17-8-5-11-26-28-17/h4-12,14,20H,13H2,1-3H3,(H,24,31)(H,25,29)(H,27,30)/t20-/m0/s1
• InChIKey: UXONQMJIXFPGBR-FQEVSTJZSA-N
• XLogP: 2.17
• TPSA: 126.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.48
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridazine-3-carboxamide?

The IUPAC name of N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridazine-3-carboxamide (CID 46207129) is N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridazine-3-carboxamide.

What is the SMILES notation for N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridazine-3-carboxamide?

The canonical SMILES for N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridazine-3-carboxamide is CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cccnn3)c2)o1)C(C)C.

What is the InChIKey of N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridazine-3-carboxamide?

The InChIKey is UXONQMJIXFPGBR-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-14(2)20(23(31)24-3)27-22(30)19-10-9-18(32-19)16-7-4-6-15(12-16)13-25-21(29)17-8-5-11-26-28-17/h4-12,14,20H,13H2,1-3H3,(H,24,31)(H,25,29)(H,27,30)/t20-/m0/s1.

What are the key properties of N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridazine-3-carboxamide?

N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridazine-3-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 2.17, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 46207129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).