N-[3-[(2-hydroxy-1-phenylethyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C23H20N4O3 — CID 71282883

IUPACN-[3-[(2-hydroxy-1-phenylethyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NC(CO)c1ccccc1)c1cccc(NC(=O)c2cnc3ccccn23)c1
InChIInChI=1S/C23H20N4O3/c28-15-19(16-7-2-1-3-8-16)26-22(29)17-9-6-10-18(13-17)25-23(30)20-14-24-21-11-4-5-12-27(20)21/h1-14,19,28H,15H2,(H,25,30)(H,26,29)
InChIKeyLRUFZSAMFQLTDV-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.05
Rot. Bonds6

About N-[3-[(2-hydroxy-1-phenylethyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[3-[(2-hydroxy-1-phenylethyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71282883) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[3-[(2-hydroxy-1-phenylethyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-hydroxy-1-phenylethyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71282883
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC NameN-[3-[(2-hydroxy-1-phenylethyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NC(CO)c1ccccc1)c1cccc(NC(=O)c2cnc3ccccn23)c1
InChIInChI=1S/C23H20N4O3/c28-15-19(16-7-2-1-3-8-16)26-22(29)17-9-6-10-18(13-17)25-23(30)20-14-24-21-11-4-5-12-27(20)21/h1-14,19,28H,15H2,(H,25,30)(H,26,29)
InChIKeyLRUFZSAMFQLTDV-UHFFFAOYSA-N
XLogP3.05
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-hydroxy-1-phenylethyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(2-hydroxy-1-phenylethyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71282883) is N-[3-[(2-hydroxy-1-phenylethyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(2-hydroxy-1-phenylethyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(2-hydroxy-1-phenylethyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is O=C(NC(CO)c1ccccc1)c1cccc(NC(=O)c2cnc3ccccn23)c1.
What is the InChIKey of N-[3-[(2-hydroxy-1-phenylethyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is LRUFZSAMFQLTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c28-15-19(16-7-2-1-3-8-16)26-22(29)17-9-6-10-18(13-17)25-23(30)20-14-24-21-11-4-5-12-27(20)21/h1-14,19,28H,15H2,(H,25,30)(H,26,29).
What are the key properties of N-[3-[(2-hydroxy-1-phenylethyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-[(2-hydroxy-1-phenylethyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-hydroxy-1-phenylethyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71282883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).