N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2-phenylacetamide

C15H13BrN4O — CID 563483

IUPACN-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCc1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C15H13BrN4O/c16-11-7-12-15(18-8-11)20-13(19-12)9-17-14(21)6-10-4-2-1-3-5-10/h1-5,7-8H,6,9H2,(H,17,21)(H,18,19,20)
InChIKeyQPEYFHCBUDOZNV-UHFFFAOYSA-N
MW345.20 g/mol
LogP2.58
Rot. Bonds4

About N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2-phenylacetamide

N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2-phenylacetamide (PubChem CID 563483) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2-phenylacetamide
PubChem CID563483
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC NameN-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCc1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C15H13BrN4O/c16-11-7-12-15(18-8-11)20-13(19-12)9-17-14(21)6-10-4-2-1-3-5-10/h1-5,7-8H,6,9H2,(H,17,21)(H,18,19,20)
InChIKeyQPEYFHCBUDOZNV-UHFFFAOYSA-N
XLogP2.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2-phenylacetamide?
The IUPAC name of N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2-phenylacetamide (CID 563483) is N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2-phenylacetamide?
The canonical SMILES for N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCc1nc2ncc(Br)cc2[nH]1.
What is the InChIKey of N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2-phenylacetamide?
The InChIKey is QPEYFHCBUDOZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c16-11-7-12-15(18-8-11)20-13(19-12)9-17-14(21)6-10-4-2-1-3-5-10/h1-5,7-8H,6,9H2,(H,17,21)(H,18,19,20).
What are the key properties of N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2-phenylacetamide?
N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2-phenylacetamide has a molecular weight of 345.20 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 563483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).