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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Related Compounds

(Z)-N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide
CID 97377795
(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl-methylcarbamic acid
CID 68756865
N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide
CID 47008572
6-bromo-2-[2-(3-chlorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine
CID 23026078
(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl N-methylcarbamate
CID 140638351
N-(1H-indazol-6-ylmethyl)-2-phenylacetamide
CID 110472122
2-[(3-bromophenyl)methyl]-6-methyl-1H-imidazo[4,5-b]pyridine
CID 79795297
(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl 3-methylbutanoate
CID 56805941
N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
CID 103908650
N-[5-[4-(2-benzyl-1H-imidazo[4,5-b]pyridin-6-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 118621010
6-bromo-2-undecyl-1H-imidazo[4,5-b]pyridine
CID 65426544
6-chloro-2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine
CID 82142267

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).