N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]imidazo[1,2-a]pyridine-6-carboxamide

C20H21N3O2 — CID 91767171

IUPACN-[1-(3-hydroxycyclobutyl)-2-phenylethyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NC(Cc1ccccc1)C1CC(O)C1)c1ccc2nccn2c1
InChIInChI=1S/C20H21N3O2/c24-17-11-16(12-17)18(10-14-4-2-1-3-5-14)22-20(25)15-6-7-19-21-8-9-23(19)13-15/h1-9,13,16-18,24H,10-12H2,(H,22,25)
InChIKeyCKBGZSDDILFNKT-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.45
Rot. Bonds5

About N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 91767171) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(3-hydroxycyclobutyl)-2-phenylethyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID91767171
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[1-(3-hydroxycyclobutyl)-2-phenylethyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NC(Cc1ccccc1)C1CC(O)C1)c1ccc2nccn2c1
InChIInChI=1S/C20H21N3O2/c24-17-11-16(12-17)18(10-14-4-2-1-3-5-14)22-20(25)15-6-7-19-21-8-9-23(19)13-15/h1-9,13,16-18,24H,10-12H2,(H,22,25)
InChIKeyCKBGZSDDILFNKT-UHFFFAOYSA-N
XLogP2.45
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 91767171) is N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(NC(Cc1ccccc1)C1CC(O)C1)c1ccc2nccn2c1.
What is the InChIKey of N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is CKBGZSDDILFNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-17-11-16(12-17)18(10-14-4-2-1-3-5-14)22-20(25)15-6-7-19-21-8-9-23(19)13-15/h1-9,13,16-18,24H,10-12H2,(H,22,25).
What are the key properties of N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 91767171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).