N-(5-bromo-2-pyridinyl)-2-[methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide

C19H22BrN5O3 — CID 56549624

About N-(5-bromo-2-pyridinyl)-2-[methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide

N-(5-bromo-2-pyridinyl)-2-[methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide (PubChem CID 56549624) has the molecular formula C19H22BrN5O3 and a molecular weight of 448.32 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(5-bromo-2-pyridinyl)-2-[methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide
• PubChem CID: 56549624
• Molecular Formula: C19H22BrN5O3
• Molecular Weight: 448.32 g/mol
• Exact Mass: 447.09
• IUPAC Name: N-(5-bromo-2-pyridinyl)-2-[methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide
• SMILES: CN(CC(=O)Nc1ccc(Br)cn1)CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1
• InChI: InChI=1S/C19H22BrN5O3/c1-24(12-18(27)23-17-5-4-14(20)10-22-17)11-16(26)13-8-15(21-9-13)19(28)25-6-2-3-7-25/h4-5,8-10,21H,2-3,6-7,11-12H2,1H3,(H,22,23,27)
• InChIKey: VHXRABGMGSSDDN-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 98.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.32
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide?

The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide (CID 56549624) is N-(5-bromo-2-pyridinyl)-2-[methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide.

What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide?

The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide is CN(CC(=O)Nc1ccc(Br)cn1)CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1.

What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide?

The InChIKey is VHXRABGMGSSDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN5O3/c1-24(12-18(27)23-17-5-4-14(20)10-22-17)11-16(26)13-8-15(21-9-13)19(28)25-6-2-3-7-25/h4-5,8-10,21H,2-3,6-7,11-12H2,1H3,(H,22,23,27).

What are the key properties of N-(5-bromo-2-pyridinyl)-2-[methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide?

N-(5-bromo-2-pyridinyl)-2-[methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide has a molecular weight of 448.32 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromo-2-pyridinyl)-2-[methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide is sourced from PubChem (CID 56549624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).