N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide

C21H17ClN4O — CID 90403734

IUPACN-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide
SMILESCc1cnc2nc(-c3cc(NC(=O)Cc4ccccc4)ccc3Cl)[nH]c2c1
InChIInChI=1S/C21H17ClN4O/c1-13-9-18-21(23-12-13)26-20(25-18)16-11-15(7-8-17(16)22)24-19(27)10-14-5-3-2-4-6-14/h2-9,11-12H,10H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyJSYLOLBQKRROCE-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.77
Rot. Bonds4

About N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide

N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide (PubChem CID 90403734) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide
PubChem CID90403734
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC NameN-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide
SMILESCc1cnc2nc(-c3cc(NC(=O)Cc4ccccc4)ccc3Cl)[nH]c2c1
InChIInChI=1S/C21H17ClN4O/c1-13-9-18-21(23-12-13)26-20(25-18)16-11-15(7-8-17(16)22)24-19(27)10-14-5-3-2-4-6-14/h2-9,11-12H,10H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyJSYLOLBQKRROCE-UHFFFAOYSA-N
XLogP4.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide (CID 90403734) is N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide is Cc1cnc2nc(-c3cc(NC(=O)Cc4ccccc4)ccc3Cl)[nH]c2c1.
What is the InChIKey of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide?
The InChIKey is JSYLOLBQKRROCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c1-13-9-18-21(23-12-13)26-20(25-18)16-11-15(7-8-17(16)22)24-19(27)10-14-5-3-2-4-6-14/h2-9,11-12H,10H2,1H3,(H,24,27)(H,23,25,26).
What are the key properties of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide?
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide has a molecular weight of 376.85 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 90403734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).