(2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide

C23H26N6O3 — CID 159689976

About (2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide

(2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide (PubChem CID 159689976) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is (2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide.

Molecular Properties

• Compound Name: (2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide
• PubChem CID: 159689976
• Molecular Formula: C23H26N6O3
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.21
• IUPAC Name: (2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide
• SMILES: COc1cccc([C@@H](OC)C(=O)Nc2ccc(N3CC[C@@H](Cc4cccnn4)C3)nn2)c1
• InChI: InChI=1S/C23H26N6O3/c1-31-19-7-3-5-17(14-19)22(32-2)23(30)25-20-8-9-21(28-27-20)29-12-10-16(15-29)13-18-6-4-11-24-26-18/h3-9,11,14,16,22H,10,12-13,15H2,1-2H3,(H,25,27,30)/t16-,22+/m0/s1
• InChIKey: NAJNURZQAZDUTC-KSFYIVLOSA-N
• XLogP: 2.67
• TPSA: 102.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.50
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide?

The IUPAC name of (2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide (CID 159689976) is (2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide.

What is the SMILES notation for (2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide?

The canonical SMILES for (2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide is COc1cccc([C@@H](OC)C(=O)Nc2ccc(N3CC[C@@H](Cc4cccnn4)C3)nn2)c1.

What is the InChIKey of (2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide?

The InChIKey is NAJNURZQAZDUTC-KSFYIVLOSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-31-19-7-3-5-17(14-19)22(32-2)23(30)25-20-8-9-21(28-27-20)29-12-10-16(15-29)13-18-6-4-11-24-26-18/h3-9,11,14,16,22H,10,12-13,15H2,1-2H3,(H,25,27,30)/t16-,22+/m0/s1.

What are the key properties of (2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide?

(2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide has a molecular weight of 434.50 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide is sourced from PubChem (CID 159689976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).