N-[[6-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

C19H25N5O2 — CID 110107823

About N-[[6-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

N-[[6-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (PubChem CID 110107823) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[[6-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[6-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
• PubChem CID: 110107823
• Molecular Formula: C19H25N5O2
• Molecular Weight: 355.44 g/mol
• Exact Mass: 355.20
• IUPAC Name: N-[[6-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
• SMILES: CC(=O)NCc1cccc(C2CCCN2C(=O)Cc2c(C)n[nH]c2C)n1
• InChI: InChI=1S/C19H25N5O2/c1-12-16(13(2)23-22-12)10-19(26)24-9-5-8-18(24)17-7-4-6-15(21-17)11-20-14(3)25/h4,6-7,18H,5,8-11H2,1-3H3,(H,20,25)(H,22,23)
• InChIKey: XJYWFSZBSBVJGO-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.44
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?

The IUPAC name of N-[[6-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (CID 110107823) is N-[[6-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.

What is the SMILES notation for N-[[6-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?

The canonical SMILES for N-[[6-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is CC(=O)NCc1cccc(C2CCCN2C(=O)Cc2c(C)n[nH]c2C)n1.

What is the InChIKey of N-[[6-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?

The InChIKey is XJYWFSZBSBVJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-12-16(13(2)23-22-12)10-19(26)24-9-5-8-18(24)17-7-4-6-15(21-17)11-20-14(3)25/h4,6-7,18H,5,8-11H2,1-3H3,(H,20,25)(H,22,23).

What are the key properties of N-[[6-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?

N-[[6-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 110107823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).