N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide

C20H19BrN4O — CID 68733910

IUPACN-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1cc(-c2cncc(Br)c2)cc(-c2ccccn2)n1
InChIInChI=1S/C20H19BrN4O/c1-13(26)25-20(2,3)19-10-14(15-8-16(21)12-22-11-15)9-18(24-19)17-6-4-5-7-23-17/h4-12H,1-3H3,(H,25,26)
InChIKeyHPFKNYOULOFVBB-UHFFFAOYSA-N
MW411.30 g/mol
LogP4.34
Rot. Bonds4

About N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide

N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide (PubChem CID 68733910) has the molecular formula C20H19BrN4O and a molecular weight of 411.30 g/mol. Its IUPAC name is N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide
PubChem CID68733910
Molecular FormulaC20H19BrN4O
Molecular Weight411.30 g/mol
Exact Mass410.07
IUPAC NameN-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1cc(-c2cncc(Br)c2)cc(-c2ccccn2)n1
InChIInChI=1S/C20H19BrN4O/c1-13(26)25-20(2,3)19-10-14(15-8-16(21)12-22-11-15)9-18(24-19)17-6-4-5-7-23-17/h4-12H,1-3H3,(H,25,26)
InChIKeyHPFKNYOULOFVBB-UHFFFAOYSA-N
XLogP4.34
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.30
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide (CID 68733910) is N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1cc(-c2cncc(Br)c2)cc(-c2ccccn2)n1.
What is the InChIKey of N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide?
The InChIKey is HPFKNYOULOFVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O/c1-13(26)25-20(2,3)19-10-14(15-8-16(21)12-22-11-15)9-18(24-19)17-6-4-5-7-23-17/h4-12H,1-3H3,(H,25,26).
What are the key properties of N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide?
N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide has a molecular weight of 411.30 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-yl]acetamide is sourced from PubChem (CID 68733910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).