N-[(2R)-butan-2-yl]-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide

C26H31N5O4 — CID 93157263

About N-[(2R)-butan-2-yl]-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide

N-[(2R)-butan-2-yl]-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 93157263) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-butan-2-yl]-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 93157263
• Molecular Formula: C26H31N5O4
• Molecular Weight: 477.57 g/mol
• Exact Mass: 477.24
• IUPAC Name: N-[(2R)-butan-2-yl]-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
• SMILES: CC[C@@H](C)N(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccco1
• InChI: InChI=1S/C26H31N5O4/c1-4-19(2)31(26(33)23-9-6-16-35-23)18-25(32)30-14-12-29(13-15-30)24-11-10-22(27-28-24)20-7-5-8-21(17-20)34-3/h5-11,16-17,19H,4,12-15,18H2,1-3H3/t19-/m1/s1
• InChIKey: IYCQVLVFGRVXQP-LJQANCHMSA-N
• XLogP: 3.33
• TPSA: 92.01 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.57
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-[(2R)-butan-2-yl]-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide (CID 93157263) is N-[(2R)-butan-2-yl]-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-[(2R)-butan-2-yl]-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-[(2R)-butan-2-yl]-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide is CC[C@@H](C)N(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccco1.

What is the InChIKey of N-[(2R)-butan-2-yl]-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?

The InChIKey is IYCQVLVFGRVXQP-LJQANCHMSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-4-19(2)31(26(33)23-9-6-16-35-23)18-25(32)30-14-12-29(13-15-30)24-11-10-22(27-28-24)20-7-5-8-21(17-20)34-3/h5-11,16-17,19H,4,12-15,18H2,1-3H3/t19-/m1/s1.

What are the key properties of N-[(2R)-butan-2-yl]-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?

N-[(2R)-butan-2-yl]-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-butan-2-yl]-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 93157263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).