N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-N'-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]oxamide

C26H26N4O5 — CID 167930482

IUPACN-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-N'-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]oxamide
SMILESCOc1cc(OC)cc(C(O)CNC(=O)C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c1
InChIInChI=1S/C26H26N4O5/c1-16-5-4-10-30-15-22(29-24(16)30)17-6-8-19(9-7-17)28-26(33)25(32)27-14-23(31)18-11-20(34-2)13-21(12-18)35-3/h4-13,15,23,31H,14H2,1-3H3,(H,27,32)(H,28,33)
InChIKeyVUZFPDMESJFBQT-UHFFFAOYSA-N
MW474.52 g/mol
LogP3.12
Rot. Bonds7

About N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-N'-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]oxamide

N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-N'-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]oxamide (PubChem CID 167930482) has the molecular formula C26H26N4O5 and a molecular weight of 474.52 g/mol. Its IUPAC name is N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-N'-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-N'-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]oxamide
PubChem CID167930482
Molecular FormulaC26H26N4O5
Molecular Weight474.52 g/mol
Exact Mass474.19
IUPAC NameN-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-N'-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]oxamide
SMILESCOc1cc(OC)cc(C(O)CNC(=O)C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c1
InChIInChI=1S/C26H26N4O5/c1-16-5-4-10-30-15-22(29-24(16)30)17-6-8-19(9-7-17)28-26(33)25(32)27-14-23(31)18-11-20(34-2)13-21(12-18)35-3/h4-13,15,23,31H,14H2,1-3H3,(H,27,32)(H,28,33)
InChIKeyVUZFPDMESJFBQT-UHFFFAOYSA-N
XLogP3.12
TPSA114.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-N'-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]oxamide?
The IUPAC name of N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-N'-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]oxamide (CID 167930482) is N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-N'-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]oxamide.
What is the SMILES notation for N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-N'-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]oxamide?
The canonical SMILES for N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-N'-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]oxamide is COc1cc(OC)cc(C(O)CNC(=O)C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c1.
What is the InChIKey of N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-N'-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]oxamide?
The InChIKey is VUZFPDMESJFBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O5/c1-16-5-4-10-30-15-22(29-24(16)30)17-6-8-19(9-7-17)28-26(33)25(32)27-14-23(31)18-11-20(34-2)13-21(12-18)35-3/h4-13,15,23,31H,14H2,1-3H3,(H,27,32)(H,28,33).
What are the key properties of N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-N'-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]oxamide?
N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-N'-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]oxamide has a molecular weight of 474.52 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-N'-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]oxamide is sourced from PubChem (CID 167930482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).